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4-[2-[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylcarbamoylamino]benzenesulfonyl fluoride; sulfuric acid

HCID 420184
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Basic information

CAS
25288-30-6
Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2ccc(CCNC(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)n1.O=S(=O)(O)O
InChIKey
YJOPCTBWBMOEFC-UHFFFAOYSA-N
Molecular formula
C26H25Cl2FN6O8S2
Average molar mass
703.5 g/mol
Monoisotopic mass
702.0536377

Names & identifiers

Preferred name
4-[2-[4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylcarbamoylamino]benzenesulfonyl fluoride; sulfuric acid
IUPAC
4-[2-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylcarbamoylamino]benzenesulfonyl fluoride;sulfuric acid

Names & synonyms

25288-30-6NSC1215264-[2-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethylcarbamoylamino]benzenesulfonyl fluoride; sulfuric acidDTXSID90329419NSC-121526Sulfuric acid--4-({[2-(4-{[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}phenyl)ethyl]carbamoyl}amino)benzene-1-sulfonyl fluoride (1/1)

Database identifiers

CAS
25288-30-6
PubChem CID
420184
DTXSID
DTXSID90329419

Properties

Computed structural properties

Topological polar surface area
254 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
13
Rotatable bonds
9
Heavy atoms
45
Formal charge
0
Complexity
999

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