7-[(4-chlorophenyl)methyl]-8-(dimethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(dimethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(dimethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(dimethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(dimethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(dimethylamino)-1,3-dimethyl-xanthine Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN5O2/c1-19(2)15-18-13-12(14(23)21(4)16(24)20(13)3)22(15)9-10-5-7-11(17)8-6-10/h5-8H,9H2,1-4H3