7-ethyl-3-methyl-8-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(4-nosylpiperazino)xanthine Formula: C18H21N7O6S MolecularWeight: 463.46764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21N7O6S/c1-3-24-14-15(21(2)18(27)20-16(14)26)19-17(24)22-8-10-23(11-9-22)32(30,31)13-6-4-12(5-7-13)25(28)29/h4-7H,3,8-11H2,1-2H3,(H,20,26,27)