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Summary Geometry Related PDB entries

YB3

Summary

Name:	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
Formula:	C21 H21 F N6
Formal charge:	0
Formula weight:	376.43 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3
InChIKey	InChI	1.06	BAUHPLMKUXWNJQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCN(CC1)c2ccc3nc(ncc3c2)c4cn5cc(C)nc5c(F)c4
SMILES	CACTVS	3.385	CN1CCN(CC1)c2ccc3nc(ncc3c2)c4cn5cc(C)nc5c(F)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cn2cc(cc(c2n1)F)c3ncc4cc(ccc4n3)N5CCN(CC5)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cn2cc(cc(c2n1)F)c3ncc4cc(ccc4n3)N5CCN(CC5)C

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