6-azanyl-2-[1-(7-chloranyl-3-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile

Systemtic Name: 6-azanyl-2-[1-(7-chloranyl-3-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Openeye Name: 6-amino-2-[1-(7-chloro-3-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile CAS Name: 6-amino-2-[1-(7-chloro-3-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-2-[1-(7-chloro-3-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylsulfanyl]pyrimidine-4-carbonitrile Traditional Name: 6-amino-2-[1-(7-chloro-3-ethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)ethylthio]pyrimidine-4-carbonitrile Formula: C16H15ClN6S MolecularWeight: 358.8485

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CNC2=C(N=C(C=C12)C(C)SC3=NC(=CC(=N3)N)C#N)Cl

Isomeric SMILES

CCC1=CNC2=C(N=C(C=C12)C(C)SC3=NC(=CC(=N3)N)C#N)Cl

InChI

InChI=1S/C16H15ClN6S/c1-3-9-7-20-14-11(9)5-12(22-15(14)17)8(2)24-16-21-10(6-18)4-13(19)23-16/h4-5,7-8,20H,3H2,1-2H3,(H2,19,21,23)