1-[2-[4-[2,4-bis(chloranyl)-6-nitro-phenyl]sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[2-[4-[2,4-bis(chloranyl)-6-nitro-phenyl]sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[2-[4-(2,4-dichloro-6-nitro-phenyl)sulfonyl-3-oxo-piperazin-1-yl]-2-oxo-ethyl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[2-[4-(2,4-dichloro-6-nitrophenyl)sulfonyl-3-oxo-1-piperazinyl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[2-[4-(2,4-dichloro-6-nitrophenyl)sulfonyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[2-[4-(2,4-dichloro-6-nitro-phenyl)sulfonyl-3-keto-piperazino]-2-keto-ethyl]-5-methyl-pyrimidine-2,4-quinone Formula: C17H15Cl2N5O8S MolecularWeight: 520.3007

Click to see the large picture

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)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)Cl

InChI

InChI=1S/C17H15Cl2N5O8S/c1-9-6-22(17(28)20-16(9)27)7-13(25)21-2-3-23(14(26)8-21)33(31,32)15-11(19)4-10(18)5-12(15)24(29)30/h4-6H,2-3,7-8H2,1H3,(H,20,27,28)