ethyl (4S)-6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(5-bromo-2-thiophenyl)methyl-methylamino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN(C)CC2=CC=C(S2)Br)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN(C)CC2=CC=C(S2)Br)C(=O)OCC

InChI

InChI=1S/C16H22BrN3O3S/c1-4-11-14(15(21)23-5-2)12(19-16(22)18-11)9-20(3)8-10-6-7-13(17)24-10/h6-7,11H,4-5,8-9H2,1-3H3,(H2,18,19,22)/t11-/m0/s1