3RH

(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

Created:2011-04-19
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count1
Bond Count39
Aromatic Bond Count19
2D diagram of 3RH

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Chemical Component Summary

Name(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
Systematic Name (OpenEye OEToolkits)(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
FormulaC18 H15 N3
Molecular Weight273.332
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n4c3c1c(cccc1)C(c2ccccc2)Cc3cnc4N
SMILESCACTVS3.370Nc1ncc2C[CH](c3ccccc3)c4ccccc4c2n1
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)C2Cc3cnc(nc3-c4c2cccc4)N
Canonical SMILESCACTVS3.370 Nc1ncc2C[C@@H](c3ccccc3)c4ccccc4c2n1
Canonical SMILESOpenEye OEToolkits1.7.2 c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N
InChIInChI1.03 InChI=1S/C18H15N3/c19-18-20-11-13-10-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)21-18/h1-9,11,16H,10H2,(H2,19,20,21)/t16-/m0/s1
InChIKeyInChI1.03 BMOQBIIJPJVMDI-INIZCTEOSA-N

Related Resource References

Resource NameReference
PubChem 51346202
ChEMBL CHEMBL1738735