ethyl 4-(2-bromanyl-5-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-bromanyl-5-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-bromo-5-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-bromo-5-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-5-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-bromo-5-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)O)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)O)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H17BrN2O3S/c1-2-25-18(24)15-16(11-6-4-3-5-7-11)21-19(26)22-17(15)13-10-12(23)8-9-14(13)20/h3-10,17,23H,2H2,1H3,(H2,21,22,26)