2,4-dimethyl-6-(3-methylphenyl)-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione

Systemtic Name: 2,4-dimethyl-6-(3-methylphenyl)-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione Openeye Name: 2,4-dimethyl-6-(m-tolyl)-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione CAS Name: 2,4-dimethyl-6-(3-methylphenyl)-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione IUPAC Name: 2,4-dimethyl-6-(3-methylphenyl)-5,8-dihydropurino[7,8-a]imidazol-9-ium-1,3,7-trione Traditional Name: 2,4-dimethyl-6-(m-tolyl)-5,8-dihydropurin[7,8-a]imidazol-9-ium-1,3,7-trione Formula: C16H16N5O3+ MolecularWeight: 326.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C[N+]3=C2NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C[N+]3=C2NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C16H15N5O3/c1-9-5-4-6-10(7-9)21-11(22)8-20-12-13(17-15(20)21)18(2)16(24)19(3)14(12)23/h4-7H,8H2,1-3H3/p+1