2-(2'-Methoxy-4'-chlorosulfonyl-phenyl)-purine hydrochloride

HCID 20184529
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Basic information

Standard SMILES
COc1cc(S(=O)(=O)Cl)ccc1-c1ncc2[nH]cnc2n1.Cl
InChIKey
PSGKYHYFCBQMID-UHFFFAOYSA-N
Molecular formula
C12H10Cl2N4O3S
Average molar mass
361.2 g/mol
Monoisotopic mass
359.9850668

Names & identifiers

Preferred name
2-(2'-Methoxy-4'-chlorosulfonyl-phenyl)-purine hydrochloride
IUPAC
3-methoxy-4-(7H-purin-2-yl)benzenesulfonyl chloride;hydrochloride

Names & synonyms

SCHEMBL10747947PSGKYHYFCBQMID-UHFFFAOYSA-N2-(2'-Methoxy-4'-chlorosulfonyl-phenyl)-purine hydrochloride

Database identifiers

PubChem CID
20184529

Properties

Computed structural properties

Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
22

Related reactions

2 records
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Compound notes

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