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

Systemtic Name: methyl 4-(3-bromanyl-4-propoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3-bromo-4-propoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-propoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4-propoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-4-propoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)Br

InChI

InChI=1S/C16H19BrN2O3S/c1-4-7-22-12-6-5-10(8-11(12)17)14-13(15(20)21-3)9(2)18-16(23)19-14/h5-6,8,14H,4,7H2,1-3H3,(H2,18,19,23)