5-methyl-1-[2-[4-(4-methyl-2-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]pyrimidine-2,4-dione

Systemtic Name: 5-methyl-1-[2-[4-(4-methyl-2-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]pyrimidine-2,4-dione Openeye Name: 5-methyl-1-[2-[4-(4-methyl-2-nitro-phenyl)sulfonyl-3-oxo-piperazin-1-yl]-2-oxo-ethyl]pyrimidine-2,4-dione CAS Name: 5-methyl-1-[2-[4-(4-methyl-2-nitrophenyl)sulfonyl-3-oxo-1-piperazinyl]-2-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 5-methyl-1-[2-[4-(4-methyl-2-nitrophenyl)sulfonyl-3-oxopiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione Traditional Name: 1-[2-keto-2-[3-keto-4-(4-methyl-2-nitro-phenyl)sulfonyl-piperazino]ethyl]-5-methyl-pyrimidine-2,4-quinone Formula: C18H19N5O8S MolecularWeight: 465.43716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2=O)C(=O)CN3C=C(C(=O)NC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2=O)C(=O)CN3C=C(C(=O)NC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O8S/c1-11-3-4-14(13(7-11)23(28)29)32(30,31)22-6-5-20(10-16(22)25)15(24)9-21-8-12(2)17(26)19-18(21)27/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,19,26,27)