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

Systemtic Name: ethyl 6-[(3-azanylpyridin-4-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-amino-4-pyridyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3-amino-4-pyridinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-aminopyridin-4-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3-amino-4-pyridyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=C(C=NC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=C(C=NC=C2)N

InChI

InChI=1S/C13H16N4O3S/c1-2-20-12(18)8-5-16-13(19)17-10(8)7-21-11-3-4-15-6-9(11)14/h3-4,6H,2,5,7,14H2,1H3,(H2,16,17,19)