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SummaryGeometryRelated PDB entries

D2F

Summary
Name:5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
Formula:C19 H22 N4 O2
Formal charge:0
Formula weight:338.404 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
OpenEye OEToolkits1.7.05-[(E)-2-(2-methoxyphenyl)hex-1-enyl]furo[2,3-d]pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(c2c(nc1N)occ2\C=C(\c3ccccc3OC)CCCC)N
SMILES_CANONICALCACTVS3.370CCCC\C(=C/c1coc2nc(N)nc(N)c12)c3ccccc3OC
SMILESCACTVS3.370CCCCC(=Cc1coc2nc(N)nc(N)c12)c3ccccc3OC
SMILES_CANONICALOpenEye OEToolkits1.7.0CCCC/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC
SMILESOpenEye OEToolkits1.7.0CCCCC(=Cc1coc2c1c(nc(n2)N)N)c3ccccc3OC
InChIInChI1.03InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10+
InChIKeyInChI1.03OJEFVGFDNJBOHB-ZRDIBKRKSA-N

223532

PDB entries from 2024-08-07

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