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

Systemtic Name: 1-(4-nitrophenyl)-5-[(4-propan-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(4-isopropylphenyl)methyl]-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-nitrophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(4-nitrophenyl)-5-[(4-propan-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-isopropylbenzyl)-1-(4-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3/c1-14(2)16-5-3-15(4-6-16)12-24-13-22-20-19(21(24)27)11-23-25(20)17-7-9-18(10-8-17)26(28)29/h3-11,13-14H,12H2,1-2H3