2-[9-[3,4-Dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]acetonitrile

HCID 18348462
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Basic information

Standard SMILES
COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CC#N)nc32)C(O)C1O
InChIKey
WGFLGNPDAIALPK-UHFFFAOYSA-N
Molecular formula
C27H28N6O4
Average molar mass
500.5 g/mol

Names & identifiers

Preferred name
2-[9-[3,4-Dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]acetonitrile
IUPAC
2-[9-[3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]acetonitrile

Database identifiers

PubChem CID
18348462

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
138 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
37

Related reactions

2 records
New reaction record

Linked notes

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