N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]purin-6-yl]benzamide
N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]purin-6-yl]benzamide
Molecular Identity
N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]purin-6-yl]benzamide
N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]purin-6-yl]benzamide
PubChem CID: 16745880
2D Structure
Properties
C20H19N5O4
Molecular Formula
393.40
Molecular Weight
g/mol
393.1437
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
111
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
619
Complexity
SMILES
Canonical SMILES
SMILES: C#CCOC1CC(OC1CO)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4Isomeric SMILES
SMILES: C#CCO[C@@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4Synonyms(6)
MLS000562879CHEMBL1731547SCHEMBL29514600AM003HMS2222G15SMR000453695
Data from PubChem (NCBI)
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Molecular Structure
N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]purin-6-yl]benzamide
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Drug Network
Trials and conditions connected to N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]purin-6-yl]benzamide
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