XTZ

4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide

Created: 2011-10-14
Last modified:  2011-10-14

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count48
Aromatic Bond Count11
2D diagram of XTZ
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Chemical Component Summary

Name4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3H-pteridin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
FormulaC16 H16 N8 O3 S2
Molecular Weight432.48
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(Nc1nccs1)c4ccc(NCC3=NC2=C(N=C(N)NC2=O)NC3)cc4
SMILESCACTVS3.370NC1=NC2=C(N=C(CNc3ccc(cc3)[S](=O)(=O)Nc4sccn4)CN2)C(=O)N1
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4
Canonical SMILESCACTVS3.370 NC1=NC2=C(N=C(CNc3ccc(cc3)[S](=O)(=O)Nc4sccn4)CN2)C(=O)N1
Canonical SMILESOpenEye OEToolkits1.7.2 c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4
InChIInChI1.03 InChI=1S/C16H16N8O3S2/c17-15-22-13-12(14(25)23-15)21-10(8-20-13)7-19-9-1-3-11(4-2-9)29(26,27)24-16-18-5-6-28-16/h1-6,19H,7-8H2,(H,18,24)(H4,17,20,22,23,25)
InChIKeyInChI1.03 XKJZNFKQXDBJHJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137350175