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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-methyl-ammonium CAS Name: (1,3-dimethyl-2,6-dioxo-7-purinyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-methylazanium Traditional Name: benzyl-[(2,6-diketo-1,3-dimethyl-purin-7-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)N(C=N2)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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