2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one; phosphoric acid

Systemtic Name: 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one; phosphoric acid Openeye Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one; phosphoric acid CAS Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one; phosphoric acid IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one; phosphoric acid Traditional Name: 2-amino-9-(4-hydroxy-3-methylol-butyl)-3H-purin-6-one; phosphoric acid Formula: C10H24N5O15P3 MolecularWeight: 547.243343

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C10H15N5O3.3H3O4P/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;3*1-5(2,3)4/h5-6,16-17H,1-4H2,(H3,11,13,14,18);3*(H3,1,2,3,4)