bis(1,7-dimethyl-6-oxidanylidene-purin-2-yl)-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: bis(1,7-dimethyl-6-oxidanylidene-purin-2-yl)-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-bis(1,7-dimethyl-6-oxo-purin-2-yl)-(2-hydroxyethyl)ammonium CAS Name: bis(1,7-dimethyl-6-oxo-2-purinyl)-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-bis(1,7-dimethyl-6-oxopurin-2-yl)-(2-hydroxyethyl)azanium Traditional Name: benzyl-(2-hydroxyethyl)-bis(6-keto-1,7-dimethyl-purin-2-yl)ammonium Formula: C23H26N9O3+ MolecularWeight: 476.51104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=N2)[N+](CCO)(CC3=CC=CC=C3)C4=NC5=C(C(=O)N4C)N(C=N5)C)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=N2)[N+](CCO)(CC3=CC=CC=C3)C4=NC5=C(C(=O)N4C)N(C=N5)C)C

InChI

InChI=1S/C23H26N9O3/c1-28-13-24-18-16(28)20(34)30(3)22(26-18)32(10-11-33,12-15-8-6-5-7-9-15)23-27-19-17(21(35)31(23)4)29(2)14-25-19/h5-9,13-14,33H,10-12H2,1-4H3/q+1