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Summary Geometry Related PDB entries

97S

Summary

Name:	2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
Formula:	C19 H18 Cl N5 O
Formal charge:	0
Formula weight:	367.832 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H18ClN5O/c1-4-22-17-11(2)19(26)25(3)16-6-5-12(9-13(16)17)24-15-7-8-23-18(20)14(15)10-21/h5-9,22H,4H2,1-3H3,(H,23,24)
InChIKey	InChI	1.06	AAVLXLCJTOLPIR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCNC1=C(C)C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
SMILES	CACTVS	3.385	CCNC1=C(C)C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCNC1=C(C(=O)N(c2c1cc(cc2)Nc3ccnc(c3C#N)Cl)C)C
SMILES	OpenEye OEToolkits	2.0.7	CCNC1=C(C(=O)N(c2c1cc(cc2)Nc3ccnc(c3C#N)Cl)C)C

223532

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