9-[(1S,3S,4S)-3-(diethoxyphosphorylmethoxy)-4-phenylmethoxy-cyclopentyl]-6-methylsulfanyl-purine

Systemtic Name: 9-[(1S,3S,4S)-3-(diethoxyphosphorylmethoxy)-4-phenylmethoxy-cyclopentyl]-6-methylsulfanyl-purine Openeye Name: 9-[(1S,3S,4S)-3-benzyloxy-4-(diethoxyphosphorylmethoxy)cyclopentyl]-6-methylsulfanyl-purine CAS Name: 9-[(1S,3S,4S)-3-(diethoxyphosphorylmethoxy)-4-phenylmethoxycyclopentyl]-6-(methylthio)purine IUPAC Name: 9-[(1S,3S,4S)-3-(diethoxyphosphorylmethoxy)-4-phenylmethoxycyclopentyl]-6-methylsulfanylpurine Traditional Name: 9-[(1S,3S,4S)-3-benzoxy-4-(diethoxyphosphorylmethoxy)cyclopentyl]-6-(methylthio)purine Formula: C23H31N4O5PS MolecularWeight: 506.554801

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC1CC(CC1OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4SC)OCC

Isomeric SMILES

CCOP(=O)(CO[C@H]1C[C@H](C[C@@H]1OCC2=CC=CC=C2)N3C=NC4=C3N=CN=C4SC)OCC

InChI

InChI=1S/C23H31N4O5PS/c1-4-31-33(28,32-5-2)16-30-20-12-18(11-19(20)29-13-17-9-7-6-8-10-17)27-15-26-21-22(27)24-14-25-23(21)34-3/h6-10,14-15,18-20H,4-5,11-13,16H2,1-3H3/t18-,19-,20-/m0/s1