G6T

3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide

Created:	2013-11-20
Last modified:	2014-12-10

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1 entries where G6T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	16

2D diagram of G6T

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Chemical Component Summary
Name	3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide
Formula	C₁₈ H₂₂ N₆ O₃ S
Molecular Weight	402.471
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c4cccc(c3nc2nc(nc(OCC1CCCCC1)c2n3)N)c4
SMILES	CACTVS	3.385	Nc1nc(OCC2CCCCC2)c3[nH]c(nc3n1)c4cccc(c4)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N
Canonical SMILES	CACTVS	3.385	Nc1nc(OCC2CCCCC2)c3[nH]c(nc3n1)c4cccc(c4)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N
InChI	InChI	1.03	InChI=1S/C18H22N6O3S/c19-18-23-16-14(17(24-18)27-10-11-5-2-1-3-6-11)21-15(22-16)12-7-4-8-13(9-12)28(20,25)26/h4,7-9,11H,1-3,5-6,10H2,(H2,20,25,26)(H3,19,21,22,23,24)
InChIKey	InChI	1.03	XNHSEOXNPOIZSH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	76324893
ChEMBL	CHEMBL3110226

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.