1,3-dimethyl-8-(2-methoxy-4-chlorosulfonyl-phenyl)-1H,3H-purin-2,6-dione

HCID 20153340
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(S(=O)(=O)Cl)ccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIKey
YHDKCGFXJBSBGZ-UHFFFAOYSA-N
Molecular formula
C14H13ClN4O5S
Average molar mass
384.8 g/mol

Names & identifiers

Preferred name
1,3-dimethyl-8-(2-methoxy-4-chlorosulfonyl-phenyl)-1H,3H-purin-2,6-dione
IUPAC
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-methoxybenzenesulfonyl chloride

Names & synonyms

SCHEMBL10689195YHDKCGFXJBSBGZ-UHFFFAOYSA-N1,3-dimethyl-8-(2-methoxy-4-chlorosulfonyl-phenyl)-1H,3H-purin-2,6-dione

Database identifiers

PubChem CID
20153340

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

Loading…