8-(2-chloranyl-5-methyl-phenoxy)-3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(2-chloranyl-5-methyl-phenoxy)-3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-chloro-5-methyl-phenoxy)-3,7-dimethyl-1-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-chloro-5-methylphenoxy)-3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-chloro-5-methylphenoxy)-3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-chloro-5-methyl-phenoxy)-3,7-dimethyl-1-(2-methylbenzyl)xanthine Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4C

InChI

InChI=1S/C22H21ClN4O3/c1-13-9-10-16(23)17(11-13)30-21-24-19-18(25(21)3)20(28)27(22(29)26(19)4)12-15-8-6-5-7-14(15)2/h5-11H,12H2,1-4H3