8-chloranyl-1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(o-tolyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(2-methylphenyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(o-tolyl)xanthine Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C14H13ClN4O2/c1-8-6-4-5-7-9(8)19-10-11(16-13(19)15)17(2)14(21)18(3)12(10)20/h4-7H,1-3H3