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

Systemtic Name: ethyl 4-ethyl-6-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-ethyl-6-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-6-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NN=C(N2CC=C)C)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CSC2=NN=C(N2CC=C)C)C(=O)OCC

InChI

InChI=1S/C16H23N5O3S/c1-5-8-21-10(4)19-20-16(21)25-9-12-13(14(22)24-7-3)11(6-2)17-15(23)18-12/h5,11H,1,6-9H2,2-4H3,(H2,17,18,23)