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LC0

Summary
Name:3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine
Formula:C23 H24 N6 O4
Formal charge:0
Formula weight:448.474 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.13-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]pyridin-2-yl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352COc1ccc(COc2cnc(COc3nc(cnc3N)c4cnn(C)c4)cc2OC)cc1
SMILESCACTVS3.352COc1ccc(COc2cnc(COc3nc(cnc3N)c4cnn(C)c4)cc2OC)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N
SMILESOpenEye OEToolkits1.7.0Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N
InChIInChI1.03InChI=1S/C23H24N6O4/c1-29-12-16(9-27-29)19-10-26-22(24)23(28-19)33-14-17-8-20(31-3)21(11-25-17)32-13-15-4-6-18(30-2)7-5-15/h4-12H,13-14H2,1-3H3,(H2,24,26)
InChIKeyInChI1.03FYNJLBSSIPLISK-UHFFFAOYSA-N

223532

数据于2024-08-07公开中

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