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

Systemtic Name: ethyl 6-[(3-chloranylpyridin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-chloro-2-pyridyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3-chloro-2-pyridinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-chloropyridin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3-chloro-2-pyridyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=C(C=CC=N2)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=C(C=CC=N2)Cl

InChI

InChI=1S/C13H14ClN3O3S/c1-2-20-12(18)8-6-16-13(19)17-10(8)7-21-11-9(14)4-3-5-15-11/h3-5H,2,6-7H2,1H3,(H2,16,17,19)