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Details

Stereochemistry ACHIRAL
Molecular Formula C14H11BrN4OS
Molecular Weight 363.232
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-amino-7-(4-bromophenyl)-6-methyl-2-sulfanylidene-1H,2H,5H,6H-pyrido[4,3-d]pyrimidin-5-one

SMILES

CN1C(=O)C2=C(NC(=S)N=C2N)C=C1C3=CC=C(Br)C=C3

InChI

InChIKey=MQWDYCUDLMONAT-UHFFFAOYSA-N
InChI=1S/C14H11BrN4OS/c1-19-10(7-2-4-8(15)5-3-7)6-9-11(13(19)20)12(16)18-14(21)17-9/h2-6H,1H3,(H3,16,17,18,21)

HIDE SMILES / InChI

Molecular Formula C14H11BrN4OS
Molecular Weight 363.232
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 Sat Dec 16 12:45:58 GMT 2023
Edited
by admin
on Sat Dec 16 12:45:58 GMT 2023
Record UNII
P9P9KF6BMY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-amino-7-(4-bromophenyl)-6-methyl-2-sulfanylidene-1H,2H,5H,6H-pyrido[4,3-d]pyrimidin-5-one
Systematic Name English
Pyrido[4,3-d]pyrimidin-5(1H)-one, 4-amino-7-(4-bromophenyl)-2,6-dihydro-6-methyl-2-thioxo-
Systematic Name English
NSC-342739
Code English
4-AMINO-7-(4-BROMOPHENYL)-2-MERCAPTO-6-METHYLPYRIDO(4,3-D)PYRIMIDIN-5(6H)-ONE
Systematic Name English
Pyrido[4,3-d]pyrimidin-5(3H)-one, 4-amino-7-(4-bromophenyl)-2,6-dihydro-6-methyl-2-thioxo-
Systematic Name English
Code System Code Type Description
FDA UNII
P9P9KF6BMY
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY
PUBCHEM
3003949
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID50218577
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY
CAS
68465-16-7
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY
NSC
342739
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY