9-[(2S)-4-azido-2-[di(propan-2-yloxy)phosphorylmethoxy]butyl]-6-chloranyl-purin-2-amine

Systemtic Name: 9-[(2S)-4-azido-2-[di(propan-2-yloxy)phosphorylmethoxy]butyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[(2S)-4-azido-2-(diisopropoxyphosphorylmethoxy)butyl]-6-chloro-purin-2-amine CAS Name: 9-[(2S)-4-azido-2-[di(propan-2-yloxy)phosphorylmethoxy]butyl]-6-chloro-2-purinamine IUPAC Name: 9-[(2S)-4-azido-2-[di(propan-2-yloxy)phosphorylmethoxy]butyl]-6-chloropurin-2-amine Traditional Name: [9-[(2S)-4-azido-2-(diisopropoxyphosphorylmethoxy)butyl]-6-chloro-purin-2-yl]amine Formula: C16H26ClN8O4P MolecularWeight: 460.855601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC(CCN=[N+]=[N-])CN1C=NC2=C1N=C(N=C2Cl)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(CO[C@@H](CCN=[N+]=[N-])CN1C=NC2=C1N=C(N=C2Cl)N)OC(C)C

InChI

InChI=1S/C16H26ClN8O4P/c1-10(2)28-30(26,29-11(3)4)9-27-12(5-6-21-24-19)7-25-8-20-13-14(17)22-16(18)23-15(13)25/h8,10-12H,5-7,9H2,1-4H3,(H2,18,22,23)/t12-/m0/s1