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

Systemtic Name: ethyl 4-(furan-2-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-furyl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-furanyl)-6-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-furyl)-2-keto-6-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NNC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NNC(=N3)C

InChI

InChI=1S/C15H17N5O4S/c1-3-23-13(21)11-9(7-25-15-16-8(2)19-20-15)17-14(22)18-12(11)10-5-4-6-24-10/h4-6,12H,3,7H2,1-2H3,(H,16,19,20)(H2,17,18,22)