9-[(1R,2S)-2-[di(propan-2-yloxy)phosphorylmethoxymethyl]-1-phenyl-cyclopropyl]purin-6-amine

Systemtic Name: 9-[(1R,2S)-2-[di(propan-2-yloxy)phosphorylmethoxymethyl]-1-phenyl-cyclopropyl]purin-6-amine Openeye Name: 9-[(1R,2S)-2-(diisopropoxyphosphorylmethoxymethyl)-1-phenyl-cyclopropyl]purin-6-amine CAS Name: 9-[(1R,2S)-2-[di(propan-2-yloxy)phosphorylmethoxymethyl]-1-phenylcyclopropyl]-6-purinamine IUPAC Name: 9-[(1R,2S)-2-[di(propan-2-yloxy)phosphorylmethoxymethyl]-1-phenylcyclopropyl]purin-6-amine Traditional Name: [9-[(1R,2S)-2-(diisopropoxyphosphorylmethoxymethyl)-1-phenyl-cyclopropyl]purin-6-yl]amine Formula: C22H30N5O4P MolecularWeight: 459.478461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COCC1CC1(C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(COC[C@H]1C[C@@]1(C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N)OC(C)C

InChI

InChI=1S/C22H30N5O4P/c1-15(2)30-32(28,31-16(3)4)14-29-11-18-10-22(18,17-8-6-5-7-9-17)27-13-26-19-20(23)24-12-25-21(19)27/h5-9,12-13,15-16,18H,10-11,14H2,1-4H3,(H2,23,24,25)/t18-,22+/m1/s1