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Summary

Name:	5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Formula:	C12 H11 Cl N6
Formal charge:	0
Formula weight:	274.709 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
OpenEye OEToolkits	1.5.0	5-chloro-4-[(5S)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-7H-pyrrolo[3,2-e]pyrimidine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc4c1c(ncnc1N3Cc2ncnc2CC3)nc4
SMILES_CANONICAL	CACTVS	3.341	Clc1c[nH]c2ncnc(N3CCc4[nH]cnc4C3)c12
SMILES	CACTVS	3.341	Clc1c[nH]c2ncnc(N3CCc4[nH]cnc4C3)c12
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1c(c2c([nH]1)ncnc2[N@]3CCc4c(nc[nH]4)C3)Cl
SMILES	OpenEye OEToolkits	1.5.0	c1c(c2c([nH]1)ncnc2N3CCc4c(nc[nH]4)C3)Cl
InChI	InChI	1.03	InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18)
InChIKey	InChI	1.03	YFFJXGRXFASBDL-UHFFFAOYSA-N

218853

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