methyl 3-(3-bromophenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(3-bromophenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(3-bromophenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-bromophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-bromophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3-bromophenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4S/c1-4-28-17-10-13(8-9-16(17)25)19-18(20(26)27-3)12(2)24(21(29)23-19)15-7-5-6-14(22)11-15/h5-11,19,25H,4H2,1-3H3,(H,23,29)