[(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-phenyl-cyclopropyl]methoxymethylphosphonic acid

Systemtic Name: [(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-phenyl-cyclopropyl]methoxymethylphosphonic acid Openeye Name: [(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-phenyl-cyclopropyl]methoxymethylphosphonic acid CAS Name: [(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-phenylcyclopropyl]methoxymethylphosphonic acid IUPAC Name: [(1S,2R)-2-[(6-aminopurin-9-yl)methyl]-2-phenylcyclopropyl]methoxymethylphosphonic acid Traditional Name: [(1S,2R)-2-(adenin-9-ylmethyl)-2-phenyl-cyclopropyl]methoxymethylphosphonic acid Formula: C17H20N5O4P MolecularWeight: 389.345561

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(CN2C=NC3=C2N=CN=C3N)C4=CC=CC=C4)COCP(=O)(O)O

Isomeric SMILES

C1[C@@H]([C@@]1(CN2C=NC3=C2N=CN=C3N)C4=CC=CC=C4)COCP(=O)(O)O

InChI

InChI=1S/C17H20N5O4P/c18-15-14-16(20-9-19-15)22(10-21-14)8-17(12-4-2-1-3-5-12)6-13(17)7-26-11-27(23,24)25/h1-5,9-10,13H,6-8,11H2,(H2,18,19,20)(H2,23,24,25)/t13-,17+/m1/s1