4-{[(2-Amino-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Methyl]Amino}-N-(5-Methyl-1,2-Oxazol-3-Yl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C17H18N8O4S
IUPAC Name 4-[(2-amino-4-oxo-7,8-dihydropteridin-1-ium-3-id-6-yl)methylamino]-n-(5-methylisoxazol-3-yl)benzenesulfonamide
Molecular Mass 430.441 g·mol−1
Heat of Formation -36.5 ± 16.7 kJ·mol−1
Dipole Moment 16.92 ± 1.08 D
Volume 459.3 Å 3
Surface Area 419.43 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2-amino-4-keto-7,8-dihydro-1h-pteridin-6-yl)methylamino]-n-(5-methylisoxazol-3-yl)benzenesulfonamide
  • 4-[(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)methylamino]-n-(5-methyl-3-isoxazolyl)benzenesulfonamide
  • 4-[(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)methylamino]-n-(5-methylisoxazol-3-yl)benzenesulfonamide
  • benzenesulfonamide, 4-(((2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)-n-(5-methyl-3-isoxazolyl)-
  • n(1)-3-(5-methylisoxazolyl)-n(4)-(7,8-dihydro-6-pterinylmethyl)sulfanilamide
CAS Number(s)
  • 51264-05-2
InChIKey ZCGQGRNRLKYUKC-UHFFFAOYSA-N
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