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Summary Geometry Related PDB entries

A1JAF

Summary

Name:	3-[(1,3-dimethylpyrazol-4-yl)amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
Formula:	C18 H20 N10 O
Formal charge:	0
Formula weight:	392.418 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-[(1,3-dimethylpyrazol-4-yl)amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H20N10O/c1-9-11(7-28(4)26-9)23-18-15(16(19)29)24-14(17(20-2)25-18)10-5-21-6-12-13(10)22-8-27(12)3/h5-8H,1-4H3,(H2,19,29)(H2,20,23,25)
InChIKey	InChI	1.06	BUGHKAJGIGJJGX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNc1nc(Nc2cn(C)nc2C)c(nc1c3cncc4n(C)cnc34)C(N)=O
SMILES	CACTVS	3.385	CNc1nc(Nc2cn(C)nc2C)c(nc1c3cncc4n(C)cnc34)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(cn(n1)C)Nc2c(nc(c(n2)NC)c3cncc4c3ncn4C)C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cn(n1)C)Nc2c(nc(c(n2)NC)c3cncc4c3ncn4C)C(=O)N

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