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

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

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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(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC(=C(C=C4)Cl)Cl

InChI

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