methyl 4-[3-bromanyl-5-ethoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[3-bromanyl-5-ethoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3-bromo-5-ethoxy-4-isobutoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-bromo-5-ethoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-bromo-5-ethoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-isobutoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H25BrN2O4S MolecularWeight: 457.3818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O4S/c1-6-25-14-8-12(7-13(20)17(14)26-9-10(2)3)16-15(18(23)24-5)11(4)21-19(27)22-16/h7-8,10,16H,6,9H2,1-5H3,(H2,21,22,27)