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Summary Geometry Related PDB entries

3RH

Summary

Name:	(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
Formula:	C18 H15 N3
Formal charge:	0
Formula weight:	273.332 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
OpenEye OEToolkits	1.7.2	(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

Chemical Descriptors

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

219140

PDB entries from 2024-05-01

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