3RH

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

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

Find Related PDB Entry
2 entries where 3RH is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	19

2D diagram of 3RH

Toggle Hydrogen Toggle Labels

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
Formula	C₁₈ H₁₅ N₃
Molecular Weight	273.332
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c3c1c(cccc1)C(c2ccccc2)Cc3cnc4N
SMILES	CACTVS	3.370	Nc1ncc2C[CH](c3ccccc3)c4ccccc4c2n1
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)C2Cc3cnc(nc3-c4c2cccc4)N
Canonical SMILES	CACTVS	3.370	Nc1ncc2C[C@@H](c3ccccc3)c4ccccc4c2n1
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N
InChI	InChI	1.03	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
InChIKey	InChI	1.03	BMOQBIIJPJVMDI-INIZCTEOSA-N

Related Resource References

Resource Name	Reference
PubChem	51346202
ChEMBL	CHEMBL1738735

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.