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

Systemtic Name: cyclohexyl 2-[1-(4-methoxyphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate Openeye Name: cyclohexyl 2-[1-(4-methoxyphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetate CAS Name: 2-[1-(4-methoxyphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate Traditional Name: 2-[4-keto-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetic acid cyclohexyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)OC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)OC4CCCCC4

InChI

InChI=1S/C20H22N4O4/c1-27-15-9-7-14(8-10-15)24-19-17(11-22-24)20(26)23(13-21-19)12-18(25)28-16-5-3-2-4-6-16/h7-11,13,16H,2-6,12H2,1H3