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

Systemtic Name: ethyl 6-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(CNC(=O)N2)C(=O)OCC)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(CNC(=O)N2)C(=O)OCC)C3=CC=CO3

InChI

InChI=1S/C16H19N5O4S/c1-3-21-13(12-6-5-7-25-12)19-20-16(21)26-9-11-10(14(22)24-4-2)8-17-15(23)18-11/h5-7H,3-4,8-9H2,1-2H3,(H2,17,18,23)