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YOH

Summary
Name:N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine
Formula:C25 H44 N6 O2
Formal charge:0
Formula weight:460.656 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine
OpenEye OEToolkits2.0.7~{N}4-[6-(dimethylamino)hexyl]-~{N}2-[5-(dimethylamino)pentyl]-6,7-dimethoxy-quinazoline-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)CCCCCCNc1nc(nc2cc(OC)c(cc21)OC)NCCCCCN(C)C
InChIInChI1.06InChI=1S/C25H44N6O2/c1-30(2)16-12-8-7-10-14-26-24-20-18-22(32-5)23(33-6)19-21(20)28-25(29-24)27-15-11-9-13-17-31(3)4/h18-19H,7-17H2,1-6H3,(H2,26,27,28,29)
InChIKeyInChI1.06LJBDNFUYQUHYOX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc2nc(NCCCCCN(C)C)nc(NCCCCCCN(C)C)c2cc1OC
SMILESCACTVS3.385COc1cc2nc(NCCCCCN(C)C)nc(NCCCCCCN(C)C)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)CCCCCCNc1c2cc(c(cc2nc(n1)NCCCCCN(C)C)OC)OC
SMILESOpenEye OEToolkits2.0.7CN(C)CCCCCCNc1c2cc(c(cc2nc(n1)NCCCCCN(C)C)OC)OC

222415

건을2024-07-10부터공개중

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