7YG

3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE

Created:	2011-12-14
Last modified:	2014-09-05

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2 entries where 7YG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	18

2D diagram of 7YG

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Chemical Component Summary
Name	3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	3-azanyl-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-yl-pyrazine-2-carboxamide
Formula	C₂₀ H₂₃ N₇ O₃ S
Molecular Weight	441.507
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1nc(cnc1N)c2ccc(cc2)S(=O)(=O)NCCN(C)C)Nc3cccnc3
SMILES	CACTVS	3.385	CN(C)CCN[S](=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3cccnc3
SMILES	OpenEye OEToolkits	1.9.2	CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N
Canonical SMILES	CACTVS	3.385	CN(C)CCN[S](=O)(=O)c1ccc(cc1)c2cnc(N)c(n2)C(=O)Nc3cccnc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N
InChI	InChI	1.03	InChI=1S/C20H23N7O3S/c1-27(2)11-10-24-31(29,30)16-7-5-14(6-8-16)17-13-23-19(21)18(26-17)20(28)25-15-4-3-9-22-12-15/h3-9,12-13,24H,10-11H2,1-2H3,(H2,21,23)(H,25,28)
InChIKey	InChI	1.03	HULMMZPBCUBDJN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2177166
PubChem	56962315
ChEMBL	CHEMBL2177166

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.