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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(7H-purin-6-ylthio)acetamide Formula: C18H17N7O2S MolecularWeight: 395.43828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H17N7O2S/c1-11-14(18(27)25(24(11)2)12-6-4-3-5-7-12)23-13(26)8-28-17-15-16(20-9-19-15)21-10-22-17/h3-7,9-10H,8H2,1-2H3,(H,23,26)(H,19,20,21,22)