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

Systemtic Name: ethyl 4-methyl-2-oxidanylidene-6-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-2-oxo-6-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-oxo-6-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-methyl-6-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C16H19N5O3S2/c1-3-24-14(22)13-9(2)17-15(23)18-11(13)8-26-16-19-12(20-21-16)7-10-5-4-6-25-10/h4-6,9H,3,7-8H2,1-2H3,(H2,17,18,23)(H,19,20,21)