N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-(7H-purin-6-ylthio)acetamide Formula: C16H13N7O2S MolecularWeight: 367.38512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H13N7O2S/c24-12(7-26-16-14-15(18-8-17-14)19-9-20-16)21-11-6-13(25)23(22-11)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,21,22,24)(H,17,18,19,20)