3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(2-methylbenzyl)xanthine Formula: C22H20Cl2N4O2 MolecularWeight: 443.3258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C22H20Cl2N4O2/c1-4-18-25-20-19(27(18)12-14-8-6-5-7-13(14)2)21(29)26(3)22(30)28(20)17-10-9-15(23)11-16(17)24/h5-11H,4,12H2,1-3H3