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

Systemtic Name: 5-[1-(4-azanyl-6-cyano-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile Openeye Name: 5-[1-(4-amino-6-cyano-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile CAS Name: 5-[1-[(4-amino-6-cyano-2-pyrimidinyl)thio]ethyl]-1-methyl-3-pyrrolo[2,3-c]pyridinecarbonitrile IUPAC Name: 5-[1-(4-amino-6-cyanopyrimidin-2-yl)sulfanylethyl]-1-methylpyrrolo[2,3-c]pyridine-3-carbonitrile Traditional Name: 5-[1-[(4-amino-6-cyano-pyrimidin-2-yl)thio]ethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile Formula: C16H13N7S MolecularWeight: 335.38632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N7S/c1-9(24-16-21-11(6-18)3-15(19)22-16)13-4-12-10(5-17)8-23(2)14(12)7-20-13/h3-4,7-9H,1-2H3,(H2,19,21,22)