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

Systemtic Name: [(2S)-3-[[2-azanyl-6-(cyclopropylamino)purin-9-yl]methyl]-2-azido-oxolan-2-yl]phosphonic acid Openeye Name: [(2S)-3-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-azido-tetrahydrofuran-2-yl]phosphonic acid CAS Name: [(2S)-3-[[2-amino-6-(cyclopropylamino)-9-purinyl]methyl]-2-azido-2-oxolanyl]phosphonic acid IUPAC Name: [(2S)-3-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-azidooxolan-2-yl]phosphonic acid Traditional Name: [(2S)-3-[[2-amino-6-(cyclopropylamino)purin-9-yl]methyl]-2-azido-tetrahydrofuran-2-yl]phosphonic acid Formula: C13H18N9O4P MolecularWeight: 395.313681

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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)/t7?,13-/m0/s1