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

Systemtic Name: 1-(2-nitrophenyl)-5-(2-pyridin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-nitrophenyl)-5-[2-(4-pyridyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-nitrophenyl)-5-(2-pyridin-4-ylethyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2-nitrophenyl)-5-(2-pyridin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-nitrophenyl)-5-[2-(4-pyridyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H14N6O3 MolecularWeight: 362.34216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O3/c25-18-14-11-21-23(15-3-1-2-4-16(15)24(26)27)17(14)20-12-22(18)10-7-13-5-8-19-9-6-13/h1-6,8-9,11-12H,7,10H2