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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-phenylthiazol-2-yl)acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-(4-phenylthiazol-2-yl)acetamide Formula: C16H13N7O2S2 MolecularWeight: 399.45012

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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(=O)N=C(N4)N

Isomeric SMILES

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

InChI

InChI=1S/C16H13N7O2S2/c17-14-21-12-11(13(25)23-14)20-16(22-12)27-7-10(24)19-15-18-9(6-26-15)8-4-2-1-3-5-8/h1-6H,7H2,(H,18,19,24)(H4,17,20,21,22,23,25)