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SummaryGeometryRelated PDB entries

A1JVW

Summary
Name:7-methyl-4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]quinazoline
Formula:C24 H24 N6
Formal charge:0
Formula weight:396.488 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-methyl-4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]quinazoline

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H24N6/c1-18-7-8-21-22(13-18)27-17-28-23(21)29-9-11-30(12-10-29)24-25-15-20(16-26-24)14-19-5-3-2-4-6-19/h2-8,13,15-17H,9-12,14H2,1H3
InChIKeyInChI1.06VQESLRCHTNGWIY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2c(c1)ncnc2N3CCN(CC3)c4ncc(Cc5ccccc5)cn4
SMILESCACTVS3.385Cc1ccc2c(c1)ncnc2N3CCN(CC3)c4ncc(Cc5ccccc5)cn4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2c(c1)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5

257179

PDB entries from 2026-07-29

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