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

Systemtic Name: 6-(3-ethoxy-4-oxidanyl-phenyl)-3-(4-methoxyphenyl)-4-methyl-N-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-4-methyl-N-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-4-methyl-N-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-4-methyl-N-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(3-ethoxy-4-hydroxy-phenyl)-3-(4-methoxyphenyl)-4-methyl-N-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC=C(C=C3)OC)C)C(=O)NC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC=C(C=C3)OC)C)C(=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C27H27N3O4S/c1-4-34-23-16-18(10-15-22(23)31)25-24(26(32)28-19-8-6-5-7-9-19)17(2)30(27(35)29-25)20-11-13-21(33-3)14-12-20/h5-16,25,31H,4H2,1-3H3,(H,28,32)(H,29,35)