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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H30N8O4
Molecular Weight 578.6211
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((6-(3-((3-(2-Cyanobenzyl)-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)benzonitrile, (R)-

SMILES

CN1C(=O)C=C(N[C@@H]2CCCN(C2)C3=CC(=O)N(C)C(=O)N3CC4=C(C=CC=C4)C#N)N(CC5=C(C=CC=C5)C#N)C1=O

InChI

InChIKey=JHBZCPZIKAFEEU-RUZDIDTESA-N
InChI=1S/C31H30N8O4/c1-35-28(40)14-26(38(30(35)42)18-23-10-5-3-8-21(23)16-32)34-25-12-7-13-37(20-25)27-15-29(41)36(2)31(43)39(27)19-24-11-6-4-9-22(24)17-33/h3-6,8-11,14-15,25,34H,7,12-13,18-20H2,1-2H3/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H30N8O4
Molecular Weight 578.6211
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 17:45:03 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:03 GMT 2025
Record UNII
FP7Q6J7XZT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((6-(3-((3-(2-Cyanobenzyl)-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)benzonitrile, (R)-
Systematic Name English
(R)-2-((6-(3-((3-(2-Cyanobenzyl)-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)benzonitrile
Preferred Name English
2-[[6-[[(3R)-1-[3-[(2-Cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]amino]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
Systematic Name English
2-[[6-[(3R)-3-[[3-[(2-Cyanophenyl)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]benzonitrile
Systematic Name English
Benzonitrile, 2-[[6-[(3R)-3-[[3-[(2-cyanophenyl)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]-
Systematic Name English
Code System Code Type Description
FDA UNII
FP7Q6J7XZT
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY
CAS
1268836-55-0
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY
PUBCHEM
78358384
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY