ethyl 4-azanyl-2-(cyanomethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(cyanomethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(cyanomethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-(cyanomethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(cyanomethylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(cyanomethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC#N

InChI

InChI=1S/C9H10N4O2S/c1-2-15-8(14)6-5-12-9(13-7(6)11)16-4-3-10/h5H,2,4H2,1H3,(H2,11,12,13)