2-[[6-[(3R)-3-[[3-[(2-Cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]amino]-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluorobenzonitrile

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H28F2N8O4
Molecular Weight	614.602
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[[6-[(3R)-3-[[3-[(2-Cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]amino]-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluorobenzonitrile

Structure Search

SMILES

CN1C(=O)C=C(N[C@@H]2CCCN(C2)C3=CC(=O)N(C)C(=O)N3CC4=CC(F)=CC=C4C#N)N(CC5=CC(F)=CC=C5C#N)C1=O

InChI

InChIKey=ZOTORLDSWLTDNS-RUZDIDTESA-N

InChI=1S/C31H28F2N8O4/c1-37-28(42)12-26(40(30(37)44)16-21-10-23(32)7-5-19(21)14-34)36-25-4-3-9-39(18-25)27-13-29(43)38(2)31(45)41(27)17-22-11-24(33)8-6-20(22)15-35/h5-8,10-13,25,36H,3-4,9,16-18H2,1-2H3/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H28F2N8O4
Molecular Weight	614.602
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:29:42 GMT 2025` Edited by `admin` on `Wed Apr 02 17:29:42 GMT 2025`
Record UNII	N65YQM5JKG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(R)-2-((6-(3-((3-(2-Cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)piperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-fluorobenzonitrile

Preferred Name

English

2-[[6-[(3R)-3-[[3-[(2-Cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]amino]-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluorobenzonitrile

Systematic Name

English

Benzonitrile, 2-[[6-[(3R)-3-[[3-[(2-cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]amino]-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluoro-

Systematic Name

English

Code System Code Type Description

PUBCHEM

149542511

Created by admin on Wed Apr 02 17:29:42 GMT 2025 , Edited by admin on Wed Apr 02 17:29:42 GMT 2025

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FDA UNII

N65YQM5JKG

Created by admin on Wed Apr 02 17:29:42 GMT 2025 , Edited by admin on Wed Apr 02 17:29:42 GMT 2025

PRIMARY

CAS

1917324-13-0

Created by admin on Wed Apr 02 17:29:42 GMT 2025 , Edited by admin on Wed Apr 02 17:29:42 GMT 2025

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