4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid

Base Information

• Chemical Name: 4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid
• CAS No.: 21322-73-6
• Molecular Formula: C22H30FN7O6S2
• Molecular Weight: 571.6453
• NSC Number: 123463
• DSSTox Substance ID: DTXSID50298490

Synonyms:21322-73-6;NSC123463;DTXSID50298490;NSC-123463;Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]ureido]-o-toluenesulfonyl fluoride (1:1);Ethanesulfonic acid--4-[({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]-2-methylbenzene-1-sulfonyl fluoride (1/1)

Chemical Property of 4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid

Chemical Property:

• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 571.16830221
• Heavy Atom Count: 38
• Complexity: 968

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F

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