8-chloranyl-1,3-dimethyl-7-[(2-methylphenyl)methyl]-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-methylphenyl)methyl]-9H-purin-7-ium-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(o-tolylmethyl)-9H-purin-7-ium-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-9H-purin-7-ium-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-methylphenyl)methyl]-9H-purin-7-ium-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(2-methylbenzyl)-9H-purin-7-ium-2,6-quinone Formula: C15H16ClN4O2+ MolecularWeight: 319.76614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)Cl

InChI

InChI=1S/C15H15ClN4O2/c1-9-6-4-5-7-10(9)8-20-11-12(17-14(20)16)18(2)15(22)19(3)13(11)21/h4-7H,8H2,1-3H3/p+1