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

Systemtic Name: cyclohexyl 2-(4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-ethanoate Openeye Name: cyclohexyl 2-(4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-acetate CAS Name: 2-(4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetate Traditional Name: 2-(4-keto-1H-pyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-acetic acid cyclohexyl ester Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=O)C=NN4

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=O)C=NN4

InChI

InChI=1S/C19H20N4O3/c24-18-15-11-21-22-17(15)20-12-23(18)16(13-7-3-1-4-8-13)19(25)26-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10H2,(H,21,22)