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

Systemtic Name: 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-N-(o-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-N-(o-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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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=CC=C3C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C)O

InChI

InChI=1S/C21H23N3O3S/c1-4-27-17-11-14(9-10-16(17)25)19-18(13(3)22-21(28)24-19)20(26)23-15-8-6-5-7-12(15)2/h5-11,19,25H,4H2,1-3H3,(H,23,26)(H2,22,24,28)