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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC2=C1N=CN2CC(C)OCP(=O)(O)O)N

Isomeric SMILES

CCC(C)NC1=NC(=NC2=C1N=CN2CC(C)OCP(=O)(O)O)N

InChI

InChI=1S/C13H23N6O4P/c1-4-8(2)16-11-10-12(18-13(14)17-11)19(6-15-10)5-9(3)23-7-24(20,21)22/h6,8-9H,4-5,7H2,1-3H3,(H2,20,21,22)(H3,14,16,17,18)