N-(4-acetamidophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Openeye Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide CAS Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylthio)propanamide IUPAC Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylsulfanyl)propanamide Traditional Name: N-(4-acetamidophenyl)-2-(7H-purin-6-ylthio)propionamide Formula: C16H16N6O2S MolecularWeight: 356.40224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C16H16N6O2S/c1-9(25-16-13-14(18-7-17-13)19-8-20-16)15(24)22-12-5-3-11(4-6-12)21-10(2)23/h3-9H,1-2H3,(H,21,23)(H,22,24)(H,17,18,19,20)