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

Systemtic Name: ethyl (4R)-6-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H25N5O4S MolecularWeight: 383.4658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(C(NC(=O)N2)CC)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C([C@H](NC(=O)N2)CC)C(=O)OCC

InChI

InChI=1S/C16H25N5O4S/c1-4-7-8-21-15(24)19-20-16(21)26-9-11-12(13(22)25-6-3)10(5-2)17-14(23)18-11/h10H,4-9H2,1-3H3,(H,19,24)(H2,17,18,23)/t10-/m1/s1