6-azido-9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]cyclohex-2-en-1-yl]purine

Systemtic Name: 6-azido-9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]cyclohex-2-en-1-yl]purine Openeye Name: 6-azido-9-[(1R,4S)-4-(diisopropoxyphosphorylmethoxy)cyclohex-2-en-1-yl]purine CAS Name: 6-azido-9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-1-cyclohex-2-enyl]purine IUPAC Name: 6-azido-9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]cyclohex-2-en-1-yl]purine Traditional Name: 6-azido-9-[(1R,4S)-4-(diisopropoxyphosphorylmethoxy)cyclohex-2-en-1-yl]purine Formula: C18H26N7O4P MolecularWeight: 435.417301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC1CCC(C=C1)N2C=NC3=C(N=CN=C32)N=[N+]=[N-])OC(C)C

Isomeric SMILES

CC(C)OP(=O)(CO[C@H]1CC[C@H](C=C1)N2C=NC3=C(N=CN=C32)N=[N+]=[N-])OC(C)C

InChI

InChI=1S/C18H26N7O4P/c1-12(2)28-30(26,29-13(3)4)11-27-15-7-5-14(6-8-15)25-10-22-16-17(23-24-19)20-9-21-18(16)25/h5,7,9-10,12-15H,6,8,11H2,1-4H3/t14-,15+/m0/s1