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

Systemtic Name: [(2S)-1-[2-azanyl-6-(cyclopropylamino)purin-9-yl]-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-[2-amino-6-(cyclopropylamino)-9-purinyl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-[2-amino-6-(cyclopropylamino)purin-9-yl]-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C12H19N6O5P MolecularWeight: 358.290221

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3CC(CO)OCP(=O)(O)O)N

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C[C@@H](CO)OCP(=O)(O)O)N

InChI

InChI=1S/C12H19N6O5P/c13-12-16-10(15-7-1-2-7)9-11(17-12)18(5-14-9)3-8(4-19)23-6-24(20,21)22/h5,7-8,19H,1-4,6H2,(H2,20,21,22)(H3,13,15,16,17)/t8-/m0/s1