2-(1,3-dimethylpyrazol-4-yl)-9-(4-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-9-(4-methylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-8-oxo-9-(p-tolyl)-7H-purine-6-carboxamide CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(1,3-dimethylpyrazol-4-yl)-8-keto-9-(p-tolyl)-7H-purine-6-carboxamide Formula: C18H17N7O2 MolecularWeight: 363.37328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CN(N=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CN(N=C4C)C

InChI

InChI=1S/C18H17N7O2/c1-9-4-6-11(7-5-9)25-17-14(21-18(25)27)13(15(19)26)20-16(22-17)12-8-24(3)23-10(12)2/h4-8H,1-3H3,(H2,19,26)(H,21,27)