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

Systemtic Name: cyclohexyl 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: cyclohexyl 2-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 2-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 2-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid cyclohexyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1C(C)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1C(C)C(=O)OC4CCCCC4

InChI

InChI=1S/C21H24N4O3/c1-14(21(27)28-17-11-7-4-8-12-17)24-15(2)23-19-18(20(24)26)13-22-25(19)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,4,7-8,11-12H2,1-2H3