6-Bromo-3-(2-chlorophenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one

HCID 178514860
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Basic information

Standard SMILES
O=c1c2cc(Br)ccc2nc(CSc2ncnc3[nH]cnc23)n1-c1ccccc1Cl
InChIKey
NAJJLQDSTDANSW-UHFFFAOYSA-N
Molecular formula
C20H12BrClN6OS
Average molar mass
499.8 g/mol
Monoisotopic mass
497.96652

Names & identifiers

Preferred name
6-Bromo-3-(2-chlorophenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one
IUPAC
6-bromo-3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Names & synonyms

SCHEMBL734272NAJJLQDSTDANSW-UHFFFAOYSA-N6-Bromo-3-(2-chlorophenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one

Database identifiers

PubChem CID
10228746

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
30

Related reactions

7 records
New reaction record

Linked notes

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6-Bromo-3-(2-chlorophenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one (HCID 178514860)｜Huagongshe