1-methyl-5-[3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-methyl-5-[3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-5-[3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-5-[3-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-methyl-5-[3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-keto-3-(4-nosylpiperazino)propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N7O6S MolecularWeight: 475.47834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O6S/c1-22-18-16(12-21-22)19(28)24(13-20-18)7-6-17(27)23-8-10-25(11-9-23)33(31,32)15-4-2-14(3-5-15)26(29)30/h2-5,12-13H,6-11H2,1H3