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SummaryGeometryRelated PDB entries

ZHO

Summary
Name:~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
Formula:C26 H29 N9
Formal charge:0
Formula weight:467.569 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)
InChIKeyInChI1.06JLUUVUUYIXBDCG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6
SMILESCACTVS3.385CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1nnc2n1cc(nc2NC)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(CC6)C
SMILESOpenEye OEToolkits2.0.7Cc1nnc2n1cc(nc2NC)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(CC6)C

222624

PDB entries from 2024-07-17

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