6-(2-chloranyl-6-fluoranyl-phenyl)-3-cyclopropyl-N-(2,5-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(2-chloranyl-6-fluoranyl-phenyl)-3-cyclopropyl-N-(2,5-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(2-chloro-6-fluoro-phenyl)-3-cyclopropyl-N-(2,5-dimethoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N-(2,5-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N-(2,5-dimethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(2-chloro-6-fluoro-phenyl)-3-cyclopropyl-N-(2,5-dimethoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C23H23ClFN3O3S MolecularWeight: 475.963423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=C(C=CC=C3Cl)F)C(=O)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=C(C=CC=C3Cl)F)C(=O)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C23H23ClFN3O3S/c1-12-19(22(29)26-17-11-14(30-2)9-10-18(17)31-3)21(20-15(24)5-4-6-16(20)25)27-23(32)28(12)13-7-8-13/h4-6,9-11,13,21H,7-8H2,1-3H3,(H,26,29)(H,27,32)