ethyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylbutanoate

Systemtic Name: ethyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylbutanoate Openeye Name: ethyl 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylbutanoate CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylbutanoate Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC=C(C(=N1)N)C#N

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC=C(C(=N1)N)C#N

InChI

InChI=1S/C11H14N4O2S/c1-3-8(10(16)17-4-2)18-11-14-6-7(5-12)9(13)15-11/h6,8H,3-4H2,1-2H3,(H2,13,14,15)