6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S/c1-12-6-8-23(9-7-12)16(26)11-30-19-21-17-15(18(27)22-19)10-20-24(17)13-2-4-14(5-3-13)25(28)29/h2-5,10,12,20H,6-9,11H2,1H3