1,3-dimethyl-6-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]pyrimidine-2,4-quinone Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H23N5O6S/c1-13-4-5-14(23(26)27)10-16(13)30(28,29)22-8-6-21(7-9-22)12-15-11-17(24)20(3)18(25)19(15)2/h4-5,10-11H,6-9,12H2,1-3H3