1,3-dimethyl-7-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[4-(3-nitrophenyl)sulfonylpiperazino]ethyl]-1,3-dimethyl-xanthine Formula: C19H21N7O7S MolecularWeight: 491.47774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O7S/c1-21-17-16(18(28)22(2)19(21)29)24(12-20-17)11-15(27)23-6-8-25(9-7-23)34(32,33)14-5-3-4-13(10-14)26(30)31/h3-5,10,12H,6-9,11H2,1-2H3