2-azanyl-9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-oxidanyl-propyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-oxidanyl-propyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-hydroxy-propyl]-3H-purin-6-one CAS Name: 2-amino-9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-hydroxypropyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-hydroxypropyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-hydroxy-propyl]-3H-purin-6-one Formula: C13H22N5O6P MolecularWeight: 375.317441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(CN1C=NC2=C1NC(=NC2=O)N)CO)OCC

Isomeric SMILES

CCOP(=O)(CO[C@@H](CN1C=NC2=C1NC(=NC2=O)N)CO)OCC

InChI

InChI=1S/C13H22N5O6P/c1-3-23-25(21,24-4-2)8-22-9(6-19)5-18-7-15-10-11(18)16-13(14)17-12(10)20/h7,9,19H,3-6,8H2,1-2H3,(H3,14,16,17,20)/t9-/m0/s1