ZV8

2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Created:2023-07-05
Last modified:  2023-07-26

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count32
Aromatic Bond Count6
2D diagram of ZV8

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Chemical Component Summary

Name2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Systematic Name (OpenEye OEToolkits)2-~{tert}-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
FormulaC11 H17 N3
Molecular Weight191.273
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)(C)c1ncc2CNCCc2n1
SMILESCACTVS3.385CC(C)(C)c1ncc2CNCCc2n1
SMILESOpenEye OEToolkits2.0.7CC(C)(C)c1ncc2c(n1)CCNC2
Canonical SMILESCACTVS3.385 CC(C)(C)c1ncc2CNCCc2n1
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)(C)c1ncc2c(n1)CCNC2
InChIInChI1.06 InChI=1S/C11H17N3/c1-11(2,3)10-13-7-8-6-12-5-4-9(8)14-10/h7,12H,4-6H2,1-3H3
InChIKeyInChI1.06 TXNXUFABOGCLLO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 55265758