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UXL

Summary
Name:7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
Formula:C20 H26 N6 O2
Formal charge:0
Formula weight:382.459 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H26N6O2/c1-2-25-18-17(19(27)23-20(25)28)26(11-13-6-5-7-13)16(22-18)10-14-12-24-9-4-3-8-15(24)21-14/h12-13H,2-11H2,1H3,(H,23,27,28)
InChIKeyInChI1.06XTQKTGYWGJOGNR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)NC(=O)c2n(CC3CCC3)c(Cc4cn5CCCCc5n4)nc12
SMILESCACTVS3.385CCN1C(=O)NC(=O)c2n(CC3CCC3)c(Cc4cn5CCCCc5n4)nc12
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)CC5CCC5)C(=O)NC1=O
SMILESOpenEye OEToolkits2.0.7CCN1c2c(n(c(n2)Cc3cn4c(n3)CCCC4)CC5CCC5)C(=O)NC1=O

227344

PDB entries from 2024-11-13

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