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

Systemtic Name: 4-(3-ethoxy-4-oxidanyl-phenyl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-ethoxy-4-hydroxy-phenyl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-ethoxy-4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-4-28-17-11-13(5-10-16(17)25)19-18(12(2)22-21(29)24-19)20(26)23-14-6-8-15(27-3)9-7-14/h5-11,19,25H,4H2,1-3H3,(H,23,26)(H2,22,24,29)