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

Systemtic Name: 5-[(2-methylphenyl)methyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-nitrophenyl)-5-(o-tolylmethyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(2-methylphenyl)methyl]-1-(4-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-methylphenyl)methyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(2-methylbenzyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H15N5O3 MolecularWeight: 361.3541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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