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

Systemtic Name: [(2S)-1-[2-(aminomethyl)-6-azanyl-purin-9-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[6-amino-2-(aminomethyl)purin-9-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[6-amino-2-(aminomethyl)-9-purinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[6-amino-2-(aminomethyl)purin-9-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[6-amino-2-(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(N1CC(CO)OCP(=O)(O)O)N=C(N=C2N)CN

Isomeric SMILES

C1=NC2=C(N1C[C@@H](CO)OCP(=O)(O)O)N=C(N=C2N)CN

InChI

InChI=1S/C10H17N6O5P/c11-1-7-14-9(12)8-10(15-7)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)/t6-/m0/s1