Basic information
- Standard SMILES
COc1ccccc1-n1c(CSc2ncnc3[nH]cnc23)nc2cccc(Cl)c2c1=O- InChIKey
UMMYTDJYDSTEMB-UHFFFAOYSA-N- Molecular formula
- C21H15ClN6O2S
- Average molar mass
- 450.9 g/mol
- Monoisotopic mass
- 450.0665726
Names & identifiers
- Preferred name
- 2-((9H-Purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3H)-one
- IUPAC
- 5-chloro-3-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one
Names & synonyms
2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE5-chloro-3-(2-methoxyphenyl)-2-((9H-purin-6-ylsulfanyl)methyl)-3,4-dihydroquinazolin-4-one5-chloro-3-(2-methoxyphenyl)-2-[(9H-purin-6-ylsulfanyl)methyl]-3,4-dihydroquinazolin-4-oneRefChem:449779PIK-39371242-53-4CHEMBL12130835-chloro-3-(2-methoxyphenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one2chw2wxfUMMYTDJYDSTEMB-UHFFFAOYSA-NSCHEMBL369837
Show more names
orb1740138SCHEMBL30387397BDBM50323727DB068312-(((9H-purin-6-yl)thio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3H)-oneNS00071517T69342CU-00000000270-1
Database identifiers
- PubChem CID
- 6852165
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 699
Related reactions
1 records
Linked notes
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