2-[2-[[(2,6-Dimethyl-3-pyridinyl)amino]methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol

HCID 18348453
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Basic information

Standard SMILES
COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNc4ccc(C)nc4C)nc32)C(O)C1O
InChIKey
JMAMLHBRATYWQX-UHFFFAOYSA-N
Molecular formula
C33H37N7O4
Average molar mass
595.7 g/mol
Monoisotopic mass
595.29070269

Names & identifiers

Preferred name
2-[2-[[(2,6-Dimethyl-3-pyridinyl)amino]methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol
IUPAC
2-[2-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol

Database identifiers

PubChem CID
18348453

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
139 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
44

Related reactions

1 records
New reaction record

Linked notes

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