2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; phenylphosphonic acid

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; phenylphosphonic acid Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; phenylphosphonic acid CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; phenylphosphonic acid IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; phenylphosphonic acid Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one; phenylphosphonic acid Formula: C16H20N5O8P MolecularWeight: 441.332461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(O)O.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(O)O.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H13N5O5.C6H7O3P/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9;7-10(8,9)6-4-2-1-3-5-6/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19);1-5H,(H2,7,8,9)