pentyl (4S)-4-(5-bromanylthiophen-2-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: pentyl (4S)-4-(5-bromanylthiophen-2-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: pentyl (4S)-4-(5-bromo-2-thienyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(5-bromo-2-thiophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(5-bromo-2-thienyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester Formula: C15H19BrN2O3S MolecularWeight: 387.29196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)Br)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(S2)Br)C

InChI

InChI=1S/C15H19BrN2O3S/c1-3-4-5-8-21-14(19)12-9(2)17-15(20)18-13(12)10-6-7-11(16)22-10/h6-7,13H,3-5,8H2,1-2H3,(H2,17,18,20)/t13-/m1/s1