1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl

InChI

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