WP6

(4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE

Created:	2009-08-03
Last modified:	2011-06-04

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1 entries where WP6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	18

2D diagram of WP6

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Chemical Component Summary
Name	(4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE
Systematic Name (OpenEye OEToolkits)	(4S)-6-chloro-2-methyl-4-phenyl-3-(phenylmethyl)-4H-quinazoline
Formula	C₂₂ H₁₉ Cl N₂
Molecular Weight	346.853
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc2ccc1N=C(N(C(c1c2)c3ccccc3)Cc4ccccc4)C
SMILES	CACTVS	3.352	CC1=Nc2ccc(Cl)cc2[CH](N1Cc3ccccc3)c4ccccc4
SMILES	OpenEye OEToolkits	1.6.1	CC1=Nc2ccc(cc2C(N1Cc3ccccc3)c4ccccc4)Cl
Canonical SMILES	CACTVS	3.352	CC1=Nc2ccc(Cl)cc2[C@@H](N1Cc3ccccc3)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl
InChI	InChI	1.03	InChI=1S/C22H19ClN2/c1-16-24-21-13-12-19(23)14-20(21)22(18-10-6-3-7-11-18)25(16)15-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3/t22-/m0/s1
InChIKey	InChI	1.03	HYYQDTGAVFYWEW-QFIPXVFZSA-N

Related Resource References

Resource Name	Reference
PubChem	46912105

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.