1-[(4-chlorophenyl)methyl]-3-methyl-purin-3-ium-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-methyl-purin-3-ium-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3-methyl-purin-3-ium-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3-methylpurin-3-ium-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-methylpurin-3-ium-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-3-methyl-purin-3-ium-2,6-quinone Formula: C13H10ClN4O2+ MolecularWeight: 289.6971

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=NC=N2)C(=O)N(C1=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[N+]1=C2C(=NC=N2)C(=O)N(C1=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H10ClN4O2/c1-17-11-10(15-7-16-11)12(19)18(13(17)20)6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3/q+1