methyl 2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4,6-bis(azanyl)-3-cyano-pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[(4,6-diamino-3-cyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(4,6-diamino-3-cyano-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4,6-diamino-3-cyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diamino-3-cyano-2-pyridyl)thio]acetic acid methyl ester Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O2S/c1-15-8(14)4-16-9-5(3-10)6(11)2-7(12)13-9/h2H,4H2,1H3,(H4,11,12,13)