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

Systemtic Name: 6-(3-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-N-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(3-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-N-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-N-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-N-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(3-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-N-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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