4-(2-Anilino-6-chloro-9H-purin-9-yl)butyl acetate

HCID 385891
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Basic information

Standard SMILES
CC(=O)OCCCCn1cnc2c(Cl)nc(Nc3ccccc3)nc21
InChIKey
NRBDNMCXPOHNPO-UHFFFAOYSA-N
Molecular formula
C17H18ClN5O2
Average molar mass
359.8 g/mol

Names & identifiers

Preferred name
4-(2-Anilino-6-chloro-9H-purin-9-yl)butyl acetate
IUPAC
4-(2-anilino-6-chloropurin-9-yl)butyl acetate

Names & synonyms

NSC6772924-(2-Anilino-6-chloro-9H-purin-9-yl)butyl acetateSCHEMBL8539832CHEMBL1981374NRBDNMCXPOHNPO-UHFFFAOYSA-NNSC-677292NCI60_0276102-anilino-6-chloro-9-(4-acetoxybutyl) purine4-(2-anilino-6-chloro-purin-9-yl)butyl acetate

Database identifiers

PubChem CID
385891
ChEMBL
CHEMBL1981374

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
81.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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