3-Biphenyl-2-yl-5-chloro-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one

HCID 178515129

Basic information

Standard SMILES
O=c1c2c(Cl)cccc2nc(CSc2ncnc3[nH]cnc23)n1-c1ccccc1-c1ccccc1
InChIKey
VDOLSOHFRBGGER-UHFFFAOYSA-N
Molecular formula
C26H17ClN6OS
Average molar mass
497 g/mol
Monoisotopic mass
496.0873081

Names & identifiers

Preferred name
3-Biphenyl-2-yl-5-chloro-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one
IUPAC
5-chloro-3-(2-phenylphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Names & synonyms

CHEMBL3326384SCHEMBL733513VDOLSOHFRBGGER-UHFFFAOYSA-NBDBM500549463-Biphenyl-2-yl-5-chloro-2-(9H-purin-6-ylsulfanyl-methyl)-3H-quinazolin-4-one3-Biphenyl-2-yl-5-chloro-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one

Database identifiers

PubChem CID
10141582

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
35

Related reactions

10 records

Linked notes

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