ethyl 4-azanyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(3-pyridylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-(3-pyridinylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(pyridin-3-ylmethylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(3-pyridylmethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CN=CC=C2

InChI

InChI=1S/C13H14N4O2S/c1-2-19-12(18)10-7-16-13(17-11(10)14)20-8-9-4-3-5-15-6-9/h3-7H,2,8H2,1H3,(H2,14,16,17)