2-(6-aminopurin-9-yl)-5-(diethoxyphosphorylmethoxy)-4-ethenyl-oxolan-3-ol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(diethoxyphosphorylmethoxy)-4-ethenyl-oxolan-3-ol Openeye Name: 2-(6-aminopurin-9-yl)-5-(diethoxyphosphorylmethoxy)-4-vinyl-tetrahydrofuran-3-ol CAS Name: 2-(6-aminopurin-9-yl)-5-(diethoxyphosphorylmethoxy)-4-ethenyl-3-oxolanol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(diethoxyphosphorylmethoxy)-4-ethenyloxolan-3-ol Traditional Name: 2-adenin-9-yl-5-(diethoxyphosphorylmethoxy)-4-vinyl-tetrahydrofuran-3-ol Formula: C16H24N5O6P MolecularWeight: 413.365421

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)C=C)OCC

Isomeric SMILES

CCOP(=O)(COC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)C=C)OCC

InChI

InChI=1S/C16H24N5O6P/c1-4-10-12(22)15(21-8-20-11-13(17)18-7-19-14(11)21)27-16(10)24-9-28(23,25-5-2)26-6-3/h4,7-8,10,12,15-16,22H,1,5-6,9H2,2-3H3,(H2,17,18,19)