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2-[(2-azanyl-5H-purin-6-yl)sulfanyl]-1-(4-bromophenyl)ethanone

2-[(2-azanyl-5H-purin-6-yl)sulfanyl]-1-(4-bromophenyl)ethanone

Systemtic Name:2-[(2-azanyl-5H-purin-6-yl)sulfanyl]-1-(4-bromophenyl)ethanone
Openeye Name:2-[(2-amino-5H-purin-6-yl)sulfanyl]-1-(4-bromophenyl)ethanone
CAS Name:2-[(2-amino-5H-purin-6-yl)thio]-1-(4-bromophenyl)ethanone
IUPAC Name:2-[(2-amino-5H-purin-6-yl)sulfanyl]-1-(4-bromophenyl)ethanone
Traditional Name:2-[(2-amino-5H-purin-6-yl)thio]-1-(4-bromophenyl)ethanone
Formula: C13H10BrN5OS
MolecularWeight: 364.2204
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC(=NC3=NC=NC32)N)Br


Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC(=NC3=NC=NC32)N)Br


InChI

InChI=1S/C13H10BrN5OS/c14-8-3-1-7(2-4-8)9(20)5-21-12-10-11(17-6-16-10)18-13(15)19-12/h1-4,6,10H,5H2,(H2,15,16,17,18)


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