5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-nitrophenyl)-5-[2-oxo-2-(p-tolyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(4-methylphenyl)-2-oxoethyl]-1-(4-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(4-methylphenyl)-2-oxoethyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-(p-tolyl)ethyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H15N5O4 MolecularWeight: 389.3642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4/c1-13-2-4-14(5-3-13)18(26)11-23-12-21-19-17(20(23)27)10-22-24(19)15-6-8-16(9-7-15)25(28)29/h2-10,12H,11H2,1H3