4-{6-[(4-Amino-pyrimidin-5-ylmethyl)-amino]-5-bromo-pyridine-3-sulfonyl}-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetate

HCID 21886450
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Basic information

Standard SMILES
CSc1sc(C(=N)N)cc1S(=O)(=O)c1cnc(NCc2cncnc2N)c(Br)c1.O=C(O)C(F)(F)F
InChIKey
MWQXTSMAAJVXJG-UHFFFAOYSA-N
Molecular formula
C18H17BrF3N7O4S3
Average molar mass
628.5 g/mol

Names & identifiers

Preferred name
4-{6-[(4-Amino-pyrimidin-5-ylmethyl)-amino]-5-bromo-pyridine-3-sulfonyl}-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetate
IUPAC
4-[[6-[(4-aminopyrimidin-5-yl)methylamino]-5-bromo-3-pyridinyl]sulfonyl]-5-methylsulfanylthiophene-2-carboximidamide;2,2,2-trifluoroacetic acid

Names & synonyms

4-{6-[(4-Amino-pyrimidin-5-ylmethyl)-amino]-5-bromo-pyridine-3-sulfonyl}-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetateSCHEMBL5841378

Database identifiers

PubChem CID
21886450

Properties

Computed structural properties

Topological polar surface area
260 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
15
Rotatable bonds
7
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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