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

Systemtic Name: 1,3-dimethyl-6-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]pyrimidine-2,4-quinone Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O6S/c1-18-14(11-16(23)19(2)17(18)24)12-20-6-8-21(9-7-20)29(27,28)15-5-3-4-13(10-15)22(25)26/h3-5,10-11H,6-9,12H2,1-2H3