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

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-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:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S/c26-16(23-9-3-1-2-4-10-23)12-30-19-21-17-15(18(27)22-19)11-20-24(17)13-5-7-14(8-6-13)25(28)29/h5-8,11,20H,1-4,9-10,12H2