5-Chloro-3-(2-fluorophenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one

HCID 178515131
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Basic information

Standard SMILES
O=c1c2c(Cl)cccc2nc(CSc2ncnc3[nH]cnc23)n1-c1ccccc1F
InChIKey
WYJOTPRHMODJAI-UHFFFAOYSA-N
Molecular formula
C20H12ClFN6OS
Average molar mass
438.9 g/mol
Monoisotopic mass
438.0465861

Names & identifiers

Preferred name
5-Chloro-3-(2-fluorophenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one
IUPAC
5-chloro-3-(2-fluorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Names & synonyms

CHEMBL3325458SCHEMBL734504WYJOTPRHMODJAI-UHFFFAOYSA-NBDBM500549475-Chloro-3-(2-fluorophenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one

Database identifiers

PubChem CID
10114067

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
30

Related reactions

5 records
New reaction record

Linked notes

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