[5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenyl-phosphinic acid

Systemtic Name: [5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenyl-phosphinic acid Openeye Name: [5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenyl-phosphinic acid CAS Name: [5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenylphosphinic acid IUPAC Name: [5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methoxy-phenylphosphinic acid Traditional Name: (5-adenin-9-yl-2,5-dihydrofuran-2-yl)methoxy-phenyl-phosphinic acid Formula: C16H16N5O4P MolecularWeight: 373.303101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(O)OCC2C=CC(O2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(O)OCC2C=CC(O2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C16H16N5O4P/c17-15-14-16(19-9-18-15)21(10-20-14)13-7-6-11(25-13)8-24-26(22,23)12-4-2-1-3-5-12/h1-7,9-11,13H,8H2,(H,22,23)(H2,17,18,19)