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

Systemtic Name: ethyl 4-(5-bromanyl-2-phenylmethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-benzyloxy-5-bromo-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(5-bromo-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-bromo-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-benzoxy-5-bromo-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21BrN2O3S/c1-3-26-20(25)18-13(2)23-21(28)24-19(18)16-11-15(22)9-10-17(16)27-12-14-7-5-4-6-8-14/h4-11,19H,3,12H2,1-2H3,(H2,23,24,28)