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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-methyl-(o-tolylmethyl)ammonium CAS Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: (2,6-diketo-1,3-dimethyl-7H-purin-8-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H21N5O2/c1-11-7-5-6-8-12(11)9-20(2)10-13-18-14-15(19-13)21(3)17(24)22(4)16(14)23/h5-8H,9-10H2,1-4H3,(H,18,19)/p+1