1,6-dimethyl-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonyl-2H-pyrazolo[3,4-b]pyridin-3-one

Systemtic Name: 1,6-dimethyl-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonyl-2H-pyrazolo[3,4-b]pyridin-3-one Openeye Name: 1,6-dimethyl-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one CAS Name: 1,6-dimethyl-4-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-pyrazolo[3,4-b]pyridin-3-one IUPAC Name: 1,6-dimethyl-4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one Traditional Name: 1,6-dimethyl-4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one Formula: C20H22N6O6S MolecularWeight: 474.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=C3C(=O)NN4C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=C3C(=O)NN4C)C

InChI

InChI=1S/C20H22N6O6S/c1-12-4-5-14(26(29)30)11-16(12)33(31,32)25-8-6-24(7-9-25)20(28)15-10-13(2)21-18-17(15)19(27)22-23(18)3/h4-5,10-11H,6-9H2,1-3H3,(H,22,27)