7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-[(4-methylbenzyl)amino]xanthine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H20ClN5O2/c1-13-7-9-14(10-8-13)11-23-20-24-18-17(19(28)25-21(29)26(18)2)27(20)12-15-5-3-4-6-16(15)22/h3-10H,11-12H2,1-2H3,(H,23,24)(H,25,28,29)