N6-cyclopropyl-9-[[(2S)-2-phosphonatooxolan-2-yl]methyl]purine-2,6-diamine

Systemtic Name: N6-cyclopropyl-9-[[(2S)-2-phosphonatooxolan-2-yl]methyl]purine-2,6-diamine Openeye Name: N6-cyclopropyl-9-[[(2S)-2-phosphonatotetrahydrofuran-2-yl]methyl]purine-2,6-diamine CAS Name: N6-cyclopropyl-9-[[(2S)-2-phosphonato-2-oxolanyl]methyl]purine-2,6-diamine IUPAC Name: 6-N-cyclopropyl-9-[[(2S)-2-phosphonatooxolan-2-yl]methyl]purine-2,6-diamine Traditional Name: [2-amino-9-[[(2S)-2-phosphonatotetrahydrofuran-2-yl]methyl]purin-6-yl]-cyclopropyl-amine Formula: C13H17N6O4P-2 MolecularWeight: 352.285641

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)(CN2C=NC3=C2N=C(N=C3NC4CC4)N)P(=O)([O-])[O-]

Isomeric SMILES

C1C[C@@](OC1)(CN2C=NC3=C2N=C(N=C3NC4CC4)N)P(=O)([O-])[O-]

InChI

InChI=1S/C13H19N6O4P/c14-12-17-10(16-8-2-3-8)9-11(18-12)19(7-15-9)6-13(24(20,21)22)4-1-5-23-13/h7-8H,1-6H2,(H2,20,21,22)(H3,14,16,17,18)/p-2/t13-/m0/s1