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

Systemtic Name: ethyl 4-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3,5-dibromo-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3,5-dibromo-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,5-dibromo-4-hydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3,5-dibromo-4-hydroxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H16Br2N2O3S MolecularWeight: 512.21494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Br2N2O3S/c1-2-26-18(25)14-15(10-6-4-3-5-7-10)22-19(27)23-16(14)11-8-12(20)17(24)13(21)9-11/h3-9,16,24H,2H2,1H3,(H2,22,23,27)