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SummaryGeometryRelated PDB entries

A1BGS

Summary
Name:4-methoxy-2-(piperazin-1-yl)-6-{[2-(piperazin-1-yl)pyridin-4-yl]methyl}pyrimidine
Formula:C19 H27 N7 O
Formal charge:0
Formula weight:369.464 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-methoxy-2-(piperazin-1-yl)-6-{[2-(piperazin-1-yl)pyridin-4-yl]methyl}pyrimidine
OpenEye OEToolkits3.1.0.04-methoxy-2-piperazin-1-yl-6-[(2-piperazin-1-ylpyridin-4-yl)methyl]pyrimidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52COc1nc(nc(Cc2ccnc(c2)N2CCNCC2)c1)N1CCNCC1
InChIInChI1.06InChI=1S/C19H27N7O/c1-27-18-14-16(23-19(24-18)26-10-6-21-7-11-26)12-15-2-3-22-17(13-15)25-8-4-20-5-9-25/h2-3,13-14,20-21H,4-12H2,1H3
InChIKeyInChI1.06JUPFIHBGLOTCIX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(Cc2ccnc(c2)N3CCNCC3)nc(n1)N4CCNCC4
SMILESCACTVS3.385COc1cc(Cc2ccnc(c2)N3CCNCC3)nc(n1)N4CCNCC4
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1cc(nc(n1)N2CCNCC2)Cc3ccnc(c3)N4CCNCC4
SMILESOpenEye OEToolkits3.1.0.0COc1cc(nc(n1)N2CCNCC2)Cc3ccnc(c3)N4CCNCC4

249697

PDB entries from 2026-02-25

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