8TM

N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE

Created:	2015-03-08
Last modified:	2015-05-13

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1 entries where 8TM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	17

2D diagram of 8TM

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Chemical Component Summary
Name	N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE
Systematic Name (OpenEye OEToolkits)	N-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine
Formula	C₁₅ H₁₀ F₃ N₃ S
Molecular Weight	321.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC(F)(F)Sc1ccc(Nc2ncnc3ccccc23)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F
Canonical SMILES	CACTVS	3.385	FC(F)(F)Sc1ccc(Nc2ncnc3ccccc23)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F
InChI	InChI	1.03	InChI=1S/C15H10F3N3S/c16-15(17,18)22-11-7-5-10(6-8-11)21-14-12-3-1-2-4-13(12)19-9-20-14/h1-9H,(H,19,20,21)
InChIKey	InChI	1.03	PZIHZHOJKADIKG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91754983

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