9-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[(2-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-(2-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC3=CC=CC=C3Cl

InChI

InChI=1S/C14H13ClN4O2/c1-17-12-11(13(20)18(2)14(17)21)16-8-19(12)7-9-5-3-4-6-10(9)15/h3-6,8H,7H2,1-2H3