(4S)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-N-(2,5-dimethylphenyl)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=C(C=CC(=C3)C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)NC3=C(C=CC(=C3)C)C)O

InChI

InChI=1S/C22H25N3O3S/c1-5-28-18-11-15(8-9-17(18)26)20-19(14(4)23-22(29)25-20)21(27)24-16-10-12(2)6-7-13(16)3/h6-11,20,26H,5H2,1-4H3,(H,24,27)(H2,23,25,29)/t20-/m0/s1