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

Systemtic Name: ethyl 4-methyl-2-oxidanylidene-6-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[[(4-propan-2-yl-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-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=CN2C(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=CN2C(C)C

InChI

InChI=1S/C14H21N5O3S/c1-5-22-12(20)11-9(4)16-13(21)17-10(11)6-23-14-18-15-7-19(14)8(2)3/h7-9H,5-6H2,1-4H3,(H2,16,17,21)