6-azanyl-2-(diethoxyphosphorylmethyl)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(diethoxyphosphorylmethyl)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(diethoxyphosphorylmethyl)-7H-purin-8-one CAS Name: 6-amino-2-(diethoxyphosphorylmethyl)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(diethoxyphosphorylmethyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(diethoxyphosphorylmethyl)-7H-purin-8-one Formula: C17H22N5O4P MolecularWeight: 391.361441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3)OCC

Isomeric SMILES

CCOP(=O)(CC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3)OCC

InChI

InChI=1S/C17H22N5O4P/c1-3-25-27(24,26-4-2)11-13-19-15(18)14-16(20-13)22(17(23)21-14)10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,21,23)(H2,18,19,20)