ethyl (4R)-4-ethyl-2-oxidanylidene-6-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-ethyl-2-oxidanylidene-6-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-ethyl-2-oxo-6-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-ethyl-2-oxo-6-[[(4-pentyl-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-ethyl-2-oxo-6-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(4-amyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H27N5O3S MolecularWeight: 381.49298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC2=C(C(NC(=O)N2)CC)C(=O)OCC

Isomeric SMILES

CCCCCN1C=NN=C1SCC2=C([C@H](NC(=O)N2)CC)C(=O)OCC

InChI

InChI=1S/C17H27N5O3S/c1-4-7-8-9-22-11-18-21-17(22)26-10-13-14(15(23)25-6-3)12(5-2)19-16(24)20-13/h11-12H,4-10H2,1-3H3,(H2,19,20,24)/t12-/m1/s1