0EC

6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine

Created:2012-08-02
Last modified:  2012-08-24

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count42
Aromatic Bond Count11
2D diagram of 0EC

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Chemical Component Summary

Name6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine
Systematic Name (OpenEye OEToolkits)6,7-dimethoxy-2-piperazin-1-yl-quinazolin-4-amine
FormulaC14 H19 N5 O2
Molecular Weight289.333
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(N)c3c(nc1N2CCNCC2)cc(OC)c(OC)c3
SMILESCACTVS3.370COc1cc2nc(nc(N)c2cc1OC)N3CCNCC3
SMILESOpenEye OEToolkits1.7.6COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3
Canonical SMILESCACTVS3.370 COc1cc2nc(nc(N)c2cc1OC)N3CCNCC3
Canonical SMILESOpenEye OEToolkits1.7.6 COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3
InChIInChI1.03 InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)
InChIKeyInChI1.03 APKHJGDGWQDBGM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1226
PubChem 616267
ChEMBL CHEMBL1226