[(2S)-3-[[2-azanyl-6-(cyclopropylamino)purin-9-yl]methyl]-2-iodanyl-oxolan-2-yl]phosphonic acid

Systemtic Name: [(2S)-3-[[2-azanyl-6-(cyclopropylamino)purin-9-yl]methyl]-2-iodanyl-oxolan-2-yl]phosphonic acid Openeye Name: [(2S)-3-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-iodo-tetrahydrofuran-2-yl]phosphonic acid CAS Name: [(2S)-3-[[2-amino-6-(cyclopropylamino)-9-purinyl]methyl]-2-iodo-2-oxolanyl]phosphonic acid IUPAC Name: [(2S)-3-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-iodooxolan-2-yl]phosphonic acid Traditional Name: [(2S)-3-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-iodo-tetrahydrofuran-2-yl]phosphonic acid Formula: C13H18IN6O4P MolecularWeight: 480.198051

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3CC4CCOC4(P(=O)(O)O)I)N

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3CC4CCO[C@@]4(P(=O)(O)O)I)N

InChI

InChI=1S/C13H18IN6O4P/c14-13(25(21,22)23)7(3-4-24-13)5-20-6-16-9-10(17-8-1-2-8)18-12(15)19-11(9)20/h6-8H,1-5H2,(H2,21,22,23)(H3,15,17,18,19)/t7?,13-/m0/s1