ethyl (4S)-6-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NC(=C(N2C3CCCC3)C)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NC(=C(N2C3CCCC3)C)C)C(=O)OCC

InChI

InChI=1S/C20H30N4O3S/c1-5-15-17(18(25)27-6-2)16(23-19(26)22-15)11-28-20-21-12(3)13(4)24(20)14-9-7-8-10-14/h14-15H,5-11H2,1-4H3,(H2,22,23,26)/t15-/m0/s1