1-[2-azanyl-6-(butylamino)purin-9-yl]propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-[2-azanyl-6-(butylamino)purin-9-yl]propan-2-yloxymethylphosphonic acid Openeye Name: [2-[2-amino-6-(butylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[2-amino-6-(butylamino)-9-purinyl]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-[2-amino-6-(butylamino)purin-9-yl]propan-2-yloxymethylphosphonic acid Traditional Name: [2-[2-amino-6-(butylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C13H23N6O4P MolecularWeight: 358.333281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=CN2CC(C)OCP(=O)(O)O)N

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=CN2CC(C)OCP(=O)(O)O)N

InChI

InChI=1S/C13H23N6O4P/c1-3-4-5-15-11-10-12(18-13(14)17-11)19(7-16-10)6-9(2)23-8-24(20,21)22/h7,9H,3-6,8H2,1-2H3,(H2,20,21,22)(H3,14,15,17,18)