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

Systemtic Name: 1-[2-[4-(2-chloranyl-4-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[2-[4-(2-chloro-4-nitro-phenyl)sulfonyl-3-oxo-piperazin-1-yl]-2-oxo-ethyl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[2-[4-(2-chloro-4-nitrophenyl)sulfonyl-3-oxo-1-piperazinyl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[2-[4-(2-chloro-4-nitrophenyl)sulfonyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[2-[4-(2-chloro-4-nitro-phenyl)sulfonyl-3-keto-piperazino]-2-keto-ethyl]-5-methyl-pyrimidine-2,4-quinone Formula: C17H16ClN5O8S MolecularWeight: 485.85564

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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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O8S/c1-10-7-21(17(27)19-16(10)26)8-14(24)20-4-5-22(15(25)9-20)32(30,31)13-3-2-11(23(28)29)6-12(13)18/h2-3,6-7H,4-5,8-9H2,1H3,(H,19,26,27)