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

Systemtic Name: 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one; phosphonomethanoic acid Openeye Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one; phosphonoformic acid CAS Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one; phosphonoformic acid IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one; phosphonoformic acid Traditional Name: 2-amino-9-(4-hydroxy-3-methylol-butyl)-3H-purin-6-one; phosphonoformic acid Formula: C11H18N5O8P MolecularWeight: 379.263081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N5O3.CH3O5P/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;2-1(3)7(4,5)6/h5-6,16-17H,1-4H2,(H3,11,13,14,18);(H,2,3)(H2,4,5,6)