1-(2-bromanylthiophen-3-yl)propan-2-yl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 1-(2-bromanylthiophen-3-yl)propan-2-yl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [2-(2-bromo-3-thienyl)-1-methyl-ethyl] 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1-(2-bromo-3-thiophenyl)propan-2-yl ester IUPAC Name: 1-(2-bromothiophen-3-yl)propan-2-yl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [2-(2-bromo-3-thienyl)-1-methyl-ethyl] ester Formula: C14H17BrN2O3S2 MolecularWeight: 405.33038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OC(C)CC2=C(SC=C2)Br

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OC(C)CC2=C(SC=C2)Br

InChI

InChI=1S/C14H17BrN2O3S2/c1-7(5-9-3-4-22-12(9)15)20-13(19)11-8(2)16-14(21)17-10(11)6-18/h3-4,7,10,18H,5-6H2,1-2H3,(H2,16,17,21)