N6-cyclopropyl-9-[[(2S)-2-iodanyl-2-phosphonato-oxolan-3-yl]methyl]purine-2,6-diamine

Systemtic Name: N6-cyclopropyl-9-[[(2S)-2-iodanyl-2-phosphonato-oxolan-3-yl]methyl]purine-2,6-diamine Openeye Name: N6-cyclopropyl-9-[[(2S)-2-iodo-2-phosphonato-tetrahydrofuran-3-yl]methyl]purine-2,6-diamine CAS Name: N6-cyclopropyl-9-[[(2S)-2-iodo-2-phosphonato-3-oxolanyl]methyl]purine-2,6-diamine IUPAC Name: 6-N-cyclopropyl-9-[[(2S)-2-iodo-2-phosphonatooxolan-3-yl]methyl]purine-2,6-diamine Traditional Name: [2-amino-9-[[(2S)-2-iodo-2-phosphonato-tetrahydrofuran-3-yl]methyl]purin-6-yl]-cyclopropyl-amine Formula: C13H16IN6O4P-2 MolecularWeight: 478.182171

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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)/p-2/t7?,13-/m0/s1