2-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(2-methoxy-2-oxidanylidene-ethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(2-methoxy-2-oxidanylidene-ethyl)pyrimidin-4-olate Openeye Name: 2-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-(2-methoxy-2-oxo-ethyl)pyrimidin-4-olate CAS Name: 2-[[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]thio]-6-(2-methoxy-2-oxoethyl)-4-pyrimidinolate IUPAC Name: 2-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]sulfanyl-6-(2-methoxy-2-oxoethyl)pyrimidin-4-olate Traditional Name: 2-[[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]thio]-6-(2-keto-2-methoxy-ethyl)pyrimidin-4-olate Formula: C17H17N4O6S- MolecularWeight: 405.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)[O-])CC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)[O-])CC(=O)OC

InChI

InChI=1S/C17H18N4O6S/c1-9-4-12(13(21(25)26)5-10(9)2)19-15(23)8-28-17-18-11(6-14(22)20-17)7-16(24)27-3/h4-6H,7-8H2,1-3H3,(H,19,23)(H,18,20,22)/p-1