1-(3,4-dimethylphenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-5-[(4-nitrophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,4-dimethylphenyl)-5-(4-nitrobenzyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H17N5O3/c1-13-3-6-17(9-14(13)2)24-19-18(10-22-24)20(26)23(12-21-19)11-15-4-7-16(8-5-15)25(27)28/h3-10,12H,11H2,1-2H3