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Summary Geometry Related PDB entries

A1JOB

Summary

Name:	6-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-5-pyridin-4-yl-pyrazin-2-amine
Formula:	C20 H21 F N6
Formal charge:	0
Formula weight:	364.419 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-5-pyridin-4-yl-pyrazin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C20H21FN6/c1-26-10-12-27(13-11-26)20-19(22)24-17(14-2-4-16(21)5-3-14)18(25-20)15-6-8-23-9-7-15/h2-9H,10-13H2,1H3,(H2,22,24)
InChIKey	InChI	1.06	CDOMUULHCBFQCB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCN(CC1)c2nc(c3ccncc3)c(nc2N)c4ccc(F)cc4
SMILES	CACTVS	3.385	CN1CCN(CC1)c2nc(c3ccncc3)c(nc2N)c4ccc(F)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2c(nc(c(n2)c3ccncc3)c4ccc(cc4)F)N
SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2c(nc(c(n2)c3ccncc3)c4ccc(cc4)F)N

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