6-azanyl-N-(diethoxyphosphorylmethyl)-9-phenethyl-purine-8-carboxamide

Systemtic Name: 6-azanyl-N-(diethoxyphosphorylmethyl)-9-phenethyl-purine-8-carboxamide Openeye Name: 6-amino-N-(diethoxyphosphorylmethyl)-9-phenethyl-purine-8-carboxamide CAS Name: 6-amino-N-(diethoxyphosphorylmethyl)-9-phenethyl-8-purinecarboxamide IUPAC Name: 6-amino-N-(diethoxyphosphorylmethyl)-9-phenethylpurine-8-carboxamide Traditional Name: 6-amino-N-(diethoxyphosphorylmethyl)-9-phenethyl-purine-8-carboxamide Formula: C19H25N6O4P MolecularWeight: 432.413361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CNC(=O)C1=NC2=C(N1CCC3=CC=CC=C3)N=CN=C2N)OCC

Isomeric SMILES

CCOP(=O)(CNC(=O)C1=NC2=C(N1CCC3=CC=CC=C3)N=CN=C2N)OCC

InChI

InChI=1S/C19H25N6O4P/c1-3-28-30(27,29-4-2)13-23-19(26)18-24-15-16(20)21-12-22-17(15)25(18)11-10-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,23,26)(H2,20,21,22)