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

Systemtic Name: ethyl 4-(3-bromanyl-4,5-diethoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-bromo-4,5-diethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4,5-diethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-4,5-diethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-4,5-diethoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25BrN2O4S MolecularWeight: 505.4246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC)Br)OCC

InChI

InChI=1S/C23H25BrN2O4S/c1-4-28-17-13-15(12-16(24)21(17)29-5-2)20-18(22(27)30-6-3)19(25-23(31)26-20)14-10-8-7-9-11-14/h7-13,20H,4-6H2,1-3H3,(H2,25,26,31)