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SummaryGeometryRelated PDB entries

YM7

Summary
Name:5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile
Formula:C15 H18 N8
Formal charge:0
Formula weight:310.357 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile
OpenEye OEToolkits1.9.25-[[6-(piperidin-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#Cc1ncc(nc1)Nc3ncnc(NCC2CCNCC2)c3
InChIInChI1.03InChI=1S/C15H18N8/c16-6-12-8-20-15(9-18-12)23-14-5-13(21-10-22-14)19-7-11-1-3-17-4-2-11/h5,8-11,17H,1-4,7H2,(H2,19,20,21,22,23)
InChIKeyInChI1.03LNWARQATROLGJR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N#Cc1cnc(Nc2cc(NCC3CCNCC3)ncn2)cn1
SMILESCACTVS3.385N#Cc1cnc(Nc2cc(NCC3CCNCC3)ncn2)cn1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3
SMILESOpenEye OEToolkits1.9.2c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3

248335

PDB entries from 2026-01-28

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