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

Systemtic Name: 1-(4-methylphenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(4-nitrophenyl)methyl]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-5-[(4-nitrophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(4-methylphenyl)-5-[(4-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-nitrobenzyl)-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H15N5O3 MolecularWeight: 361.3541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O3/c1-13-2-6-15(7-3-13)23-18-17(10-21-23)19(25)22(12-20-18)11-14-4-8-16(9-5-14)24(26)27/h2-10,12H,11H2,1H3