[1-[6-(aminomethyl)-2-azanyl-purin-9-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-[6-(aminomethyl)-2-azanyl-purin-9-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(aminomethyl)purin-9-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [1-[2-amino-6-(aminomethyl)-9-purinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-[2-amino-6-(aminomethyl)purin-9-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-(aminomethyl)purin-9-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C10H17N6O5P MolecularWeight: 332.252941

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N=C(N=C2N1CC(CO)OCP(=O)(O)O)N)CN

Isomeric SMILES

C1=NC2=C(N=C(N=C2N1CC(CO)OCP(=O)(O)O)N)CN

InChI

InChI=1S/C10H17N6O5P/c11-1-7-8-9(15-10(12)14-7)16(4-13-8)2-6(3-17)21-5-22(18,19)20/h4,6,17H,1-3,5,11H2,(H2,12,14,15)(H2,18,19,20)