8-(4-chloranyl-3-methyl-phenyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(4-chloranyl-3-methyl-phenyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(4-chloro-3-methyl-phenyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(4-chloro-3-methylphenyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(4-chloro-3-methylphenyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(4-chloro-3-methyl-phenyl)-3,7-dimethyl-xanthine Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(N2C)C(=O)NC(=O)N3C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(N2C)C(=O)NC(=O)N3C)Cl

InChI

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