[1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1,3-dimethyl-2,6-dioxo-7-phenethyl-purin-8-yl)methyl]-methyl-ammonium CAS Name: (1,3-dimethyl-2,6-dioxo-7-phenethyl-8-purinyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1,3-dimethyl-2,6-dioxo-7-phenethylpurin-8-yl)methyl]-methylazanium Traditional Name: benzyl-[(2,6-diketo-1,3-dimethyl-7-phenethyl-purin-8-yl)methyl]-methyl-ammonium Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+](C)CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+](C)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-26(16-19-12-8-5-9-13-19)17-20-25-22-21(23(30)28(3)24(31)27(22)2)29(20)15-14-18-10-6-4-7-11-18/h4-13H,14-17H2,1-3H3/p+1