2-[(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylmethyl]pyridine-3-carbonitrile

Systemtic Name: 2-[(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylmethyl]pyridine-3-carbonitrile Openeye Name: 2-[(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanylmethyl]pyridine-3-carbonitrile CAS Name: 2-[[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-[(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylmethyl]pyridine-3-carbonitrile Traditional Name: 2-[[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]methyl]nicotinonitrile Formula: C12H11N5S2 MolecularWeight: 289.37924

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1)N)SCC2=C(C=CC=N2)C#N

Isomeric SMILES

CSC1=NC(=NC(=C1)N)SCC2=C(C=CC=N2)C#N

InChI

InChI=1S/C12H11N5S2/c1-18-11-5-10(14)16-12(17-11)19-7-9-8(6-13)3-2-4-15-9/h2-5H,7H2,1H3,(H2,14,16,17)