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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)purine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)purine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-(2-methylphenoxy)xanthine Formula: C21H18Cl2N4O3 MolecularWeight: 445.29862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1OC2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H18Cl2N4O3/c1-12-6-4-5-7-16(12)30-20-24-18-17(19(28)26(3)21(29)25(18)2)27(20)11-13-8-9-14(22)15(23)10-13/h4-10H,11H2,1-3H3