2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-phenylthiazol-2-yl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(4-phenylthiazol-2-yl)acetamide Formula: C16H13N7OS2 MolecularWeight: 383.45072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C16H13N7OS2/c17-13-12-14(19-8-18-13)23-16(22-12)26-7-11(24)21-15-20-10(6-25-15)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,20,21,24)(H3,17,18,19,22,23)