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A1H3J

Summary
Name:8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7~{H}-purine-2,6-dione
Formula:C19 H22 N4 O4
Formal charge:0
Formula weight:370.402 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.78-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7~{H}-purine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H22N4O4/c1-5-22-17-16(18(24)23(6-2)19(22)25)20-15(21-17)10-8-12-7-9-13(26-3)14(11-12)27-4/h7-11H,5-6H2,1-4H3,(H,20,21)/b10-8+
InChIKeyInChI1.06IZFYJVITWLNDJA-CSKARUKUSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)N(CC)c2nc([nH]c2C1=O)/C=C/c3ccc(OC)c(OC)c3
SMILESCACTVS3.385CCN1C(=O)N(CC)c2nc([nH]c2C1=O)C=Cc3ccc(OC)c(OC)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN1c2c([nH]c(n2)/C=C/c3ccc(c(c3)OC)OC)C(=O)N(C1=O)CC
SMILESOpenEye OEToolkits2.0.7CCN1c2c([nH]c(n2)C=Cc3ccc(c(c3)OC)OC)C(=O)N(C1=O)CC

250835

PDB entries from 2026-03-18

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