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

Systemtic Name: 5-[1-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile Openeye Name: 5-[1-(4-amino-6-chloro-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile CAS Name: 5-[1-[(4-amino-6-chloro-2-pyrimidinyl)thio]ethyl]-1-methyl-3-pyrrolo[2,3-c]pyridinecarbonitrile IUPAC Name: 5-[1-(4-amino-6-chloropyrimidin-2-yl)sulfanylethyl]-1-methylpyrrolo[2,3-c]pyridine-3-carbonitrile Traditional Name: 5-[1-[(4-amino-6-chloro-pyrimidin-2-yl)thio]ethyl]-1-methyl-pyrrolo[2,3-c]pyridine-3-carbonitrile Formula: C15H13ClN6S MolecularWeight: 344.82192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN6S/c1-8(23-15-20-13(16)4-14(18)21-15)11-3-10-9(5-17)7-22(2)12(10)6-19-11/h3-4,6-8H,1-2H3,(H2,18,20,21)