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

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; methylphosphonic acid Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; methylphosphonic acid CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; methylphosphonic acid IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; methylphosphonic acid Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one; methylphosphonic acid Formula: C11H18N5O8P MolecularWeight: 379.263081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O5.CH5O3P/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9;1-5(2,3)4/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19);1H3,(H2,2,3,4)