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Summary Geometry Related PDB entries

KSL

Summary

Name:	N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
Formula:	C20 H18 N4
Formal charge:	0
Formula weight:	314.384 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
OpenEye OEToolkits	1.5.0	N-(2,6-dimethylphenyl)-5-phenyl-imidazo[5,1-c]pyrazin-8-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2cc(n1c(cnc1)c2Nc3c(cccc3C)C)c4ccccc4
SMILES_CANONICAL	CACTVS	3.341	Cc1cccc(C)c1Nc2ncc(n3cncc23)c4ccccc4
SMILES	CACTVS	3.341	Cc1cccc(C)c1Nc2ncc(n3cncc23)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C
SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C
InChI	InChI	1.03	InChI=1S/C20H18N4/c1-14-7-6-8-15(2)19(14)23-20-18-11-21-13-24(18)17(12-22-20)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,22,23)
InChIKey	InChI	1.03	KKYYLKPGILUPOA-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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