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

Systemtic Name: tert-butyl (4R)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl (4R)-4-(3-bromo-4,5-dimethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R)-4-(3-bromo-4,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-bromo-4,5-dimethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H23BrN2O4S MolecularWeight: 443.35522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C(=C2)Br)OC)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23BrN2O4S/c1-9-13(16(22)25-18(2,3)4)14(21-17(26)20-9)10-7-11(19)15(24-6)12(8-10)23-5/h7-8,14H,1-6H3,(H2,20,21,26)/t14-/m1/s1