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

Systemtic Name: 5-methyl-1-[2-[4-(2-nitrophenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]pyrimidine-2,4-dione Openeye Name: 5-methyl-1-[2-[4-(2-nitrophenyl)sulfonyl-3-oxo-piperazin-1-yl]-2-oxo-ethyl]pyrimidine-2,4-dione CAS Name: 5-methyl-1-[2-[4-(2-nitrophenyl)sulfonyl-3-oxo-1-piperazinyl]-2-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 5-methyl-1-[2-[4-(2-nitrophenyl)sulfonyl-3-oxopiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione Traditional Name: 1-[2-keto-2-[3-keto-4-(2-nitrophenyl)sulfonyl-piperazino]ethyl]-5-methyl-pyrimidine-2,4-quinone Formula: C17H17N5O8S MolecularWeight: 451.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC(=O)N2CCN(C(=O)C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N2CCN(C(=O)C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O8S/c1-11-8-20(17(26)18-16(11)25)9-14(23)19-6-7-21(15(24)10-19)31(29,30)13-5-3-2-4-12(13)22(27)28/h2-5,8H,6-7,9-10H2,1H3,(H,18,25,26)