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Summary Geometry Related PDB entries

9WI

Summary

Name:	(4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile
Formula:	C22 H17 N7
Formal charge:	0
Formula weight:	379.417 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile
OpenEye OEToolkits	2.0.7	6-[[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-5,7-dimethyl-indolizine-2-carbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1ccc(cc1)Nc1nccc(n1)Nc1c(C)n2cc(cc2cc1C)C#N
InChI	InChI	1.03	InChI=1S/C22H17N7/c1-14-9-19-10-17(12-24)13-29(19)15(2)21(14)27-20-7-8-25-22(28-20)26-18-5-3-16(11-23)4-6-18/h3-10,13H,1-2H3,(H2,25,26,27,28)
InChIKey	InChI	1.03	GMFRQOLPQYTHQH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc2cc(cn2c(C)c1Nc3ccnc(Nc4ccc(cc4)C#N)n3)C#N
SMILES	CACTVS	3.385	Cc1cc2cc(cn2c(C)c1Nc3ccnc(Nc4ccc(cc4)C#N)n3)C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N

222415

건을2024-07-10부터공개중

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