2-azanyl-9-[3-bis(phenylmethoxy)phosphorylpropoxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-bis(phenylmethoxy)phosphorylpropoxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-(3-dibenzyloxyphosphorylpropoxymethyl)-3H-purin-6-one CAS Name: 2-amino-9-[3-bis(phenylmethoxy)phosphorylpropoxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3-bis(phenylmethoxy)phosphorylpropoxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-(3-dibenzoxyphosphorylpropoxymethyl)-3H-purin-6-one Formula: C23H26N5O5P MolecularWeight: 483.456801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COP(=O)(CCCOCN2C=NC3=C2NC(=NC3=O)N)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COP(=O)(CCCOCN2C=NC3=C2NC(=NC3=O)N)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N5O5P/c24-23-26-21-20(22(29)27-23)25-16-28(21)17-31-12-7-13-34(30,32-14-18-8-3-1-4-9-18)33-15-19-10-5-2-6-11-19/h1-6,8-11,16H,7,12-15,17H2,(H3,24,26,27,29)