cyclohexyl 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate

Systemtic Name: cyclohexyl 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: cyclohexyl 2-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid cyclohexyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC(=O)OC4CCCCC4

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC(=O)OC4CCCCC4

InChI

InChI=1S/C20H22N4O3/c1-14-22-19-17(12-21-24(19)15-8-4-2-5-9-15)20(26)23(14)13-18(25)27-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3