6-chloranyl-9-[(E)-4-di(propan-2-yloxy)phosphorylbut-3-enyl]purine

Systemtic Name: 6-chloranyl-9-[(E)-4-di(propan-2-yloxy)phosphorylbut-3-enyl]purine Openeye Name: 6-chloro-9-[(E)-4-diisopropoxyphosphorylbut-3-enyl]purine CAS Name: 6-chloro-9-[(E)-4-di(propan-2-yloxy)phosphorylbut-3-enyl]purine IUPAC Name: 6-chloro-9-[(E)-4-di(propan-2-yloxy)phosphorylbut-3-enyl]purine Traditional Name: 6-chloro-9-[(E)-4-diisopropoxyphosphorylbut-3-enyl]purine Formula: C15H22ClN4O3P MolecularWeight: 372.786941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C=CCCN1C=NC2=C1N=CN=C2Cl)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(/C=C/CCN1C=NC2=C1N=CN=C2Cl)OC(C)C

InChI

InChI=1S/C15H22ClN4O3P/c1-11(2)22-24(21,23-12(3)4)8-6-5-7-20-10-19-13-14(16)17-9-18-15(13)20/h6,8-12H,5,7H2,1-4H3/b8-6+