5-methyl-4-(6-methylpurin-9-yl)-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(6-methylpurin-9-yl)-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-methyl-4-(6-methylpurin-9-yl)-2-phenyl-4H-pyrazol-3-one CAS Name: 5-methyl-4-(6-methyl-9-purinyl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-(6-methylpurin-9-yl)-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-methyl-4-(6-methylpurin-9-yl)-2-phenyl-2-pyrazolin-3-one Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N2C=NC3=C(N=CN=C32)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1N2C=NC3=C(N=CN=C32)C)C4=CC=CC=C4

InChI

InChI=1S/C16H14N6O/c1-10-13-15(18-8-17-10)21(9-19-13)14-11(2)20-22(16(14)23)12-6-4-3-5-7-12/h3-9,14H,1-2H3