2-azanyl-9-[5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; phosphoric acid

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; phosphoric acid Openeye Name: 2-amino-9-[5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one; phosphoric acid CAS Name: 2-amino-9-[5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one; phosphoric acid IUPAC Name: 2-amino-9-[5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one; phosphoric acid Traditional Name: 2-amino-9-(5-methyloltetrahydrofuran-2-yl)-3H-purin-6-one; phosphoric acid Formula: C10H22N5O15P3 MolecularWeight: 545.227463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1CO)N2C=NC3=C2NC(=NC3=O)N.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1CC(OC1CO)N2C=NC3=C2NC(=NC3=O)N.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C10H13N5O3.3H3O4P/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-2-1-5(3-16)18-6;3*1-5(2,3)4/h4-6,16H,1-3H2,(H3,11,13,14,17);3*(H3,1,2,3,4)