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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-methyl-ammonium CAS Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-methylazanium Traditional Name: benzyl-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)methyl]-methyl-ammonium Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2/c1-19(9-11-7-5-4-6-8-11)10-12-17-13-14(18-12)20(2)16(23)21(3)15(13)22/h4-8H,9-10H2,1-3H3,(H,17,18)/p+1