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

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3-bromo-4,5-dimethoxy-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-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)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-4,5-dimethoxy-benzyl) ester Formula: C15H17BrN2O4S MolecularWeight: 401.27548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O4S/c1-8-10(6-17-15(23)18-8)14(19)22-7-9-4-11(16)13(21-3)12(5-9)20-2/h4-5H,6-7H2,1-3H3,(H2,17,18,23)