methyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C8H8N4O2S MolecularWeight: 224.23972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C(=N1)N)C#N

Isomeric SMILES

COC(=O)CSC1=NC=C(C(=N1)N)C#N

InChI

InChI=1S/C8H8N4O2S/c1-14-6(13)4-15-8-11-3-5(2-9)7(10)12-8/h3H,4H2,1H3,(H2,10,11,12)