2-azanyl-9-[(2S)-3-chloranyl-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2S)-3-chloranyl-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2S)-3-chloro-2-(diisopropoxyphosphorylmethoxy)propyl]-3H-purin-6-one CAS Name: 2-amino-9-[(2S)-3-chloro-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2S)-3-chloro-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2S)-3-chloro-2-(diisopropoxyphosphorylmethoxy)propyl]-3H-purin-6-one Formula: C15H25ClN5O5P MolecularWeight: 421.816261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC(CN1C=NC2=C1NC(=NC2=O)N)CCl)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(CO[C@@H](CN1C=NC2=C1NC(=NC2=O)N)CCl)OC(C)C

InChI

InChI=1S/C15H25ClN5O5P/c1-9(2)25-27(23,26-10(3)4)8-24-11(5-16)6-21-7-18-12-13(21)19-15(17)20-14(12)22/h7,9-11H,5-6,8H2,1-4H3,(H3,17,19,20,22)/t11-/m1/s1