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

Systemtic Name: propan-2-yl 4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-(3-bromo-5-methoxy-4-propoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-5-methoxy-4-propoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-bromo-5-methoxy-4-propoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-5-methoxy-4-propoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isopropyl ester Formula: C19H25BrN2O4S MolecularWeight: 457.3818

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)OC(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)OC(C)C)OC

InChI

InChI=1S/C19H25BrN2O4S/c1-6-7-25-17-13(20)8-12(9-14(17)24-5)16-15(18(23)26-10(2)3)11(4)21-19(27)22-16/h8-10,16H,6-7H2,1-5H3,(H2,21,22,27)