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

Systemtic Name: methyl 4-(3-bromanyl-4-butoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3-bromo-4-butoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-butoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4-butoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-4-butoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)Br

InChI

InChI=1S/C17H21BrN2O3S/c1-4-5-8-23-13-7-6-11(9-12(13)18)15-14(16(21)22-3)10(2)19-17(24)20-15/h6-7,9,15H,4-5,8H2,1-3H3,(H2,19,20,24)