5-(6-aminopurin-9-yl)-2-[[oxidanyl-[(E)-2-phenylbut-2-enoxy]phosphinothioyl]oxymethyl]oxolan-3-ol

Systemtic Name: 5-(6-aminopurin-9-yl)-2-[[oxidanyl-[(E)-2-phenylbut-2-enoxy]phosphinothioyl]oxymethyl]oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-2-[[hydroxy-[(E)-2-phenylbut-2-enoxy]phosphinothioyl]oxymethyl]tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-2-[[hydroxy-[(E)-2-phenylbut-2-enoxy]phosphinothioyl]oxymethyl]-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-2-[[hydroxy-[(E)-2-phenylbut-2-enoxy]phosphinothioyl]oxymethyl]oxolan-3-ol Traditional Name: 5-adenin-9-yl-2-[[hydroxy-[(E)-2-phenylbut-2-enoxy]thiophosphoryl]oxymethyl]tetrahydrofuran-3-ol Formula: C20H24N5O5PS MolecularWeight: 477.473821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(COP(=S)(O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O)C4=CC=CC=C4

Isomeric SMILES

C/C=C(/COP(=S)(O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)O)\C4=CC=CC=C4

InChI

InChI=1S/C20H24N5O5PS/c1-2-13(14-6-4-3-5-7-14)9-28-31(27,32)29-10-16-15(26)8-17(30-16)25-12-24-18-19(21)22-11-23-20(18)25/h2-7,11-12,15-17,26H,8-10H2,1H3,(H,27,32)(H2,21,22,23)/b13-2-