5-[1-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile

Systemtic Name: 5-[1-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile Openeye Name: 5-[1-(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile CAS Name: 5-[1-[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]ethyl]-1-methyl-3-pyrrolo[2,3-c]pyridinecarbonitrile IUPAC Name: 5-[1-(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylethyl]-1-methylpyrrolo[2,3-c]pyridine-3-carbonitrile Traditional Name: 5-[1-[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]ethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile Formula: C16H16N6S2 MolecularWeight: 356.46844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2C)C#N)SC3=NC(=CC(=N3)SC)N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2C)C#N)SC3=NC(=CC(=N3)SC)N

InChI

InChI=1S/C16H16N6S2/c1-9(24-16-20-14(18)5-15(21-16)23-3)12-4-11-10(6-17)8-22(2)13(11)7-19-12/h4-5,7-9H,1-3H3,(H2,18,20,21)