ZHO

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

Created: 2023-06-23
Last modified:  2023-07-26

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Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count0
Bond Count69
Aromatic Bond Count26
2D diagram of ZHO
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Chemical Component 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
Systematic Name (OpenEye OEToolkits)~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
FormulaC26 H29 N9
Molecular Weight467.569
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6
SMILESOpenEye OEToolkits2.0.7Cc1nnc2n1cc(nc2NC)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(CC6)C
Canonical SMILESCACTVS3.385 CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1nnc2n1cc(nc2NC)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(CC6)C
InChIInChI1.06 InChI=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)
InChIKeyInChI1.06 JLUUVUUYIXBDCG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3919831
PubChem 76072013
ChEMBL CHEMBL3919831