2-(Methylthio)-6-benzyl-furano[2,3-d]pyrimidine

HCID 21039980
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Basic information

Standard SMILES
CSc1ncc2cc(Cc3ccccc3)oc2n1
InChIKey
MCTNRMZDDWMUHN-UHFFFAOYSA-N
Molecular formula
C14H12N2OS
Average molar mass
256.32 g/mol
Monoisotopic mass
256.06703418

Names & identifiers

Preferred name
2-(Methylthio)-6-benzyl-furano[2,3-d]pyrimidine
IUPAC
6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine

Names & synonyms

SCHEMBL4770670MCTNRMZDDWMUHN-UHFFFAOYSA-N2-(methylthio)-6-benzyl-furano[2,3-d]pyrimidine

Database identifiers

PubChem CID
21039980

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
64.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

2 records
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Compound notes

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