1,3-Dimethyl-8-(2-methoxy-4-dimethylaminosulfonyl-phenyl)-1H,3H-purin-2,6-dione

HCID 20153255
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Basic information

Standard SMILES
COc1cc(S(=O)(=O)N(C)C)ccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C
InChIKey
QPXCPPOMOAEZHF-UHFFFAOYSA-N
Molecular formula
C16H19N5O5S
Average molar mass
393.4 g/mol

Names & identifiers

Preferred name
1,3-Dimethyl-8-(2-methoxy-4-dimethylaminosulfonyl-phenyl)-1H,3H-purin-2,6-dione
IUPAC
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-methoxy-N,N-dimethylbenzenesulfonamide

Names & synonyms

SCHEMBL10688987QPXCPPOMOAEZHF-UHFFFAOYSA-N1,3-Dimethyl-8-(2-methoxy-4-dimethylaminosulfonyl-phenyl)-1H,3H-purin-2,6-dione

Database identifiers

PubChem CID
20153255

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
124 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
27

Related reactions

2 records
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Linked notes

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