5-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-keto-2-(2-methylpiperidino)ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4/c1-13-6-4-5-9-23(13)17(26)11-22-12-20-18-14(19(22)27)10-21-24(18)15-7-2-3-8-16(15)25(28)29/h2-3,7-8,10,12-13H,4-6,9,11H2,1H3