dimethyl 5-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H15ClN4O6S MolecularWeight: 474.8743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H15ClN4O6S/c1-30-19(26)11-7-12(20(27)31-2)9-14(8-11)24-17-16(25(28)29)18(23-10-22-17)32-15-5-3-13(21)4-6-15/h3-10H,1-2H3,(H,22,23,24)