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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(2-methylphenoxy)purine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-methylphenoxy)xanthine Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC=C1OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H19ClN4O3/c1-13-8-4-7-11-16(13)29-20-23-18-17(24(20)2)19(27)26(21(28)25(18)3)12-14-9-5-6-10-15(14)22/h4-11H,12H2,1-3H3