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

Systemtic Name: 9-[[(2S)-2-azido-2-phosphonato-oxolan-3-yl]methyl]-N6-cyclopropyl-purine-2,6-diamine Openeye Name: 9-[[(2S)-2-azido-2-phosphonato-tetrahydrofuran-3-yl]methyl]-N6-cyclopropyl-purine-2,6-diamine CAS Name: 9-[[(2S)-2-azido-2-phosphonato-3-oxolanyl]methyl]-N6-cyclopropylpurine-2,6-diamine IUPAC Name: 9-[[(2S)-2-azido-2-phosphonatooxolan-3-yl]methyl]-6-N-cyclopropylpurine-2,6-diamine Traditional Name: [2-amino-9-[[(2S)-2-azido-2-phosphonato-tetrahydrofuran-3-yl]methyl]purin-6-yl]-cyclopropyl-amine Formula: C13H16N9O4P-2 MolecularWeight: 393.297801

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3CC4CCOC4(N=[N+]=[N-])P(=O)([O-])[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C13H18N9O4P/c14-12-18-10(17-8-1-2-8)9-11(19-12)22(6-16-9)5-7-3-4-26-13(7,20-21-15)27(23,24)25/h6-8H,1-5H2,(H2,23,24,25)(H3,14,17,18,19)/p-2/t7?,13-/m0/s1