6-(3-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(3-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(3-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(3-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-N-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H22N4O5S/c1-4-30-17-10-13(8-9-16(17)26)19-18(12(2)24(3)21(31)23-19)20(27)22-14-6-5-7-15(11-14)25(28)29/h5-11,19,26H,4H2,1-3H3,(H,22,27)(H,23,31)