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

Systemtic Name: 6-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4S/c1-2-13-5-3-4-10-24(13)17(27)12-31-20-22-18-16(19(28)23-20)11-21-25(18)14-6-8-15(9-7-14)26(29)30/h6-9,11,13,21H,2-5,10,12H2,1H3