Metrifudil
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
| Molecular Formula | C18H21N5O4 |
|---|---|
| Molecular Weight | 371.4 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 126.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.15936 |
| Heavy Atoms | 27 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 23707-33-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O |
| InChIKey | OOEMZCZWZXHBKW-SCFUHWHPSA-N |
📖 Product Overview
Metrifudil (CAS: 23707-33-7) is a chemical compound with molecular formula C18H21N5O4 and molecular weight 371.4 g/mol. Its IUPAC systematic name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol.
OOEMZCZWZXHBKW-SCFUHWHPSA-N.
SMILES: CC1=CC=CC=C1CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O.
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