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Summary Geometry Related PDB entries

7A7

Summary

Name:	methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
Formula:	C18 H14 F N5 O2 S
Formal charge:	0
Formula weight:	383.399 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.5	methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)/b20-16+
InChIKey	InChI	1.03	RYBNARZBIXTFJS-CAPFRKAQSA-N
SMILES_CANONICAL	CACTVS	3.385	COC(=N)c1sc2c(ccc3ncnc(Nc4ccc(OC)cc4F)c23)n1
SMILES	CACTVS	3.385	COC(=N)c1sc2c(ccc3ncnc(Nc4ccc(OC)cc4F)c23)n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC
SMILES	OpenEye OEToolkits	2.0.5	COc1ccc(c(c1)F)Nc2c3c(ccc4c3sc(n4)C(=N)OC)ncn2

219140

PDB entries from 2024-05-01

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