4-(7H-purin-6-ylsulfanylmethyl)-N-(1,3-thiazol-2-yl)benzamide

Systemtic Name: 4-(7H-purin-6-ylsulfanylmethyl)-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 4-(7H-purin-6-ylsulfanylmethyl)-N-thiazol-2-yl-benzamide CAS Name: 4-[(7H-purin-6-ylthio)methyl]-N-(2-thiazolyl)benzamide IUPAC Name: 4-(7H-purin-6-ylsulfanylmethyl)-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 4-[(7H-purin-6-ylthio)methyl]-N-thiazol-2-yl-benzamide Formula: C16H12N6OS2 MolecularWeight: 368.43608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)C(=O)NC4=NC=CS4

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C16H12N6OS2/c23-14(22-16-17-5-6-24-16)11-3-1-10(2-4-11)7-25-15-12-13(19-8-18-12)20-9-21-15/h1-6,8-9H,7H2,(H,17,22,23)(H,18,19,20,21)