[1-[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]-3-phenyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]-3-phenyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]-2-phenyl-ethoxy]methylphosphonic acid CAS Name: [1-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]-3-phenylpropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]-3-phenylpropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]methyl]-2-phenyl-ethoxy]methylphosphonic acid Formula: C18H24N5O7P MolecularWeight: 453.386221

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC(CC3=CC=CC=C3)OCP(=O)(O)O

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC(CC3=CC=CC=C3)OCP(=O)(O)O

InChI

InChI=1S/C18H24N5O7P/c1-28-7-8-29-17-21-15(19)14-16(22-17)23(18(24)20-14)10-13(30-11-31(25,26)27)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,20,24)(H2,19,21,22)(H2,25,26,27)