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

Systemtic Name: 9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]cyclohex-2-en-1-yl]purin-6-amine Openeye Name: 9-[(1R,4S)-4-(diisopropoxyphosphorylmethoxy)cyclohex-2-en-1-yl]purin-6-amine CAS Name: 9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]-1-cyclohex-2-enyl]-6-purinamine IUPAC Name: 9-[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethoxy]cyclohex-2-en-1-yl]purin-6-amine Traditional Name: [9-[(1R,4S)-4-(diisopropoxyphosphorylmethoxy)cyclohex-2-en-1-yl]purin-6-yl]amine Formula: C18H28N5O4P MolecularWeight: 409.419781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC1CCC(C=C1)N2C=NC3=C2N=CN=C3N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(CO[C@H]1CC[C@H](C=C1)N2C=NC3=C2N=CN=C3N)OC(C)C

InChI

InChI=1S/C18H28N5O4P/c1-12(2)26-28(24,27-13(3)4)11-25-15-7-5-14(6-8-15)23-10-22-16-17(19)20-9-21-18(16)23/h5,7,9-10,12-15H,6,8,11H2,1-4H3,(H2,19,20,21)/t14-,15+/m0/s1