0SW

N-(2-phenylethyl)quinazolin-4-amine

Created:2012-05-24
Last modified:  2013-05-01

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count17
2D diagram of 0SW

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Chemical Component Summary

NameN-(2-phenylethyl)quinazolin-4-amine
Systematic Name (OpenEye OEToolkits)N-(2-phenylethyl)quinazolin-4-amine
FormulaC16 H15 N3
Molecular Weight249.31
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c1c(cccc1)c(nc2)NCCc3ccccc3
SMILESCACTVS3.370C(Cc1ccccc1)Nc2ncnc3ccccc23
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)CCNc2c3ccccc3ncn2
Canonical SMILESCACTVS3.370 C(Cc1ccccc1)Nc2ncnc3ccccc23
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)CCNc2c3ccccc3ncn2
InChIInChI1.03 InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-17-16-14-8-4-5-9-15(14)18-12-19-16/h1-9,12H,10-11H2,(H,17,18,19)
InChIKeyInChI1.03 YKOSADJQCBRMRR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 198909
ChEMBL CHEMBL117804
CCDC/CSD KAZTOY