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

Systemtic Name: cyclohexyl 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butanoate Openeye Name: cyclohexyl 2-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butanoate CAS Name: 2-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)butanoate Traditional Name: 2-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butyric acid cyclohexyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CCCCC1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)OC1CCCCC1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4O3/c1-3-19(22(28)29-17-12-8-5-9-13-17)25-15(2)24-20-18(21(25)27)14-23-26(20)16-10-6-4-7-11-16/h4,6-7,10-11,14,17,19H,3,5,8-9,12-13H2,1-2H3