1-(2-nitrophenyl)-5-(quinolin-8-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-nitrophenyl)-5-(quinolin-8-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-nitrophenyl)-5-(8-quinolylmethyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-nitrophenyl)-5-(8-quinolinylmethyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2-nitrophenyl)-5-(quinolin-8-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-nitrophenyl)-5-(8-quinolylmethyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H14N6O3 MolecularWeight: 398.37426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H14N6O3/c28-21-16-11-24-26(17-8-1-2-9-18(17)27(29)30)20(16)23-13-25(21)12-15-6-3-5-14-7-4-10-22-19(14)15/h1-11,13H,12H2