2-(2-butyl-4-methyl-6-oxo-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C46H45N7OS
Molecular Weight	743.961
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(2-butyl-4-methyl-6-oxo-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide

Structure Search

SMILES

CCCCC1=NC(C)=C(CC(=S)N(C)C)C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=PKQUAXXEVVAWCX-UHFFFAOYSA-N

InChI=1S/C46H45N7OS/c1-5-6-26-42-47-33(2)41(31-43(55)51(3)4)45(54)52(42)32-34-27-29-35(30-28-34)39-24-16-17-25-40(39)44-48-49-50-53(44)46(36-18-10-7-11-19-36,37-20-12-8-13-21-37)38-22-14-9-15-23-38/h7-25,27-30H,5-6,26,31-32H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C46H45N7OS
Molecular Weight	743.961
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:05:19 GMT 2025` Edited by `admin` on `Wed Apr 02 21:05:19 GMT 2025`
Record UNII	KBK7JE8U6R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2?-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1?-biphenyl]-4-yl]methyl]-5-pyrimidineethanethioamide

Preferred Name

English

2-(2-butyl-4-methyl-6-oxo-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,6-dihydropyrimidin-5-yl)-N,N-dimethylethanethioamide

Systematic Name

English

5-Pyrimidineethanethioamide, 2-butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2?-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1?-biphenyl]-4-yl]methyl]

Systematic Name

English

Code System Code Type Description

FDA UNII

KBK7JE8U6R

Created by admin on Wed Apr 02 21:05:19 GMT 2025 , Edited by admin on Wed Apr 02 21:05:19 GMT 2025

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PUBCHEM

131872902

Created by admin on Wed Apr 02 21:05:19 GMT 2025 , Edited by admin on Wed Apr 02 21:05:19 GMT 2025

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CAS

1361024-52-3

Created by admin on Wed Apr 02 21:05:19 GMT 2025 , Edited by admin on Wed Apr 02 21:05:19 GMT 2025

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