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

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-8-oxidanylidene-9-phenyl-7H-purine-6-carboxamide Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-8-oxo-9-phenyl-7H-purine-6-carboxamide CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-8-oxo-9-phenyl-7H-purine-6-carboxamide Traditional Name: 2-(1,3-dimethylpyrazol-4-yl)-8-keto-9-phenyl-7H-purine-6-carboxamide Formula: C17H15N7O2 MolecularWeight: 349.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC=C4)C(=O)N)C

Isomeric SMILES

CC1=NN(C=C1C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CC=C4)C(=O)N)C

InChI

InChI=1S/C17H15N7O2/c1-9-11(8-23(2)22-9)15-19-12(14(18)25)13-16(21-15)24(17(26)20-13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,18,25)(H,20,26)