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

Systemtic Name: 5-[1-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile Openeye Name: 5-[1-(4-amino-6-chloro-pyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile CAS Name: 5-[1-[(4-amino-6-chloro-2-pyrimidinyl)thio]ethyl]-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile IUPAC Name: 5-[1-(4-amino-6-chloropyrimidin-2-yl)sulfanylethyl]-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile Traditional Name: 5-[1-[(4-amino-6-chloro-pyrimidin-2-yl)thio]ethyl]-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile Formula: C14H11ClN6S MolecularWeight: 330.79534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2)C#N)SC3=NC(=CC(=N3)Cl)N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2)C#N)SC3=NC(=CC(=N3)Cl)N

InChI

InChI=1S/C14H11ClN6S/c1-7(22-14-20-12(15)3-13(17)21-14)10-2-9-8(4-16)5-18-11(9)6-19-10/h2-3,5-7,18H,1H3,(H2,17,20,21)