2-azanyl-9-[(1S,3S,4S)-3-(diethoxyphosphorylmethoxy)-4-phenylmethoxy-cyclopentyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1S,3S,4S)-3-(diethoxyphosphorylmethoxy)-4-phenylmethoxy-cyclopentyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1S,3S,4S)-3-benzyloxy-4-(diethoxyphosphorylmethoxy)cyclopentyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1S,3S,4S)-3-(diethoxyphosphorylmethoxy)-4-phenylmethoxycyclopentyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1S,3S,4S)-3-(diethoxyphosphorylmethoxy)-4-phenylmethoxycyclopentyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1S,3S,4S)-3-benzoxy-4-(diethoxyphosphorylmethoxy)cyclopentyl]-3H-purin-6-one Formula: C22H30N5O6P MolecularWeight: 491.477261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC1CC(CC1OCC2=CC=CC=C2)N3C=NC4=C3NC(=NC4=O)N)OCC

Isomeric SMILES

CCOP(=O)(CO[C@H]1C[C@H](C[C@@H]1OCC2=CC=CC=C2)N3C=NC4=C3NC(=NC4=O)N)OCC

InChI

InChI=1S/C22H30N5O6P/c1-3-32-34(29,33-4-2)14-31-18-11-16(10-17(18)30-12-15-8-6-5-7-9-15)27-13-24-19-20(27)25-22(23)26-21(19)28/h5-9,13,16-18H,3-4,10-12,14H2,1-2H3,(H3,23,25,26,28)/t16-,17-,18-/m0/s1