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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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