7-[(2-chlorophenyl)methyl]-8-(dimethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(dimethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(dimethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(dimethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(dimethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(dimethylamino)-3-methyl-xanthine Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C15H16ClN5O2/c1-19(2)14-17-12-11(13(22)18-15(23)20(12)3)21(14)8-9-6-4-5-7-10(9)16/h4-7H,8H2,1-3H3,(H,18,22,23)