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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-bromo-4-methoxy-benzyl) ester Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C14H15BrN2O3S/c1-8-10(6-16-14(21)17-8)13(18)20-7-9-3-4-12(19-2)11(15)5-9/h3-5H,6-7H2,1-2H3,(H2,16,17,21)