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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=C(C=C(C=C4)Cl)Cl

InChI

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