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

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[(4-methoxyphenyl)methyl]-1-methyl-purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[(4-methoxyphenyl)methyl]-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[(4-methoxyphenyl)methyl]-1-methylpurine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-7-[(4-methoxyphenyl)methyl]-1-methylpurine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-p-anisyl-xanthine Formula: C22H20Cl2N4O3 MolecularWeight: 459.3252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C22H20Cl2N4O3/c1-4-18-25-20-19(27(18)12-13-5-8-15(31-3)9-6-13)21(29)26(2)22(30)28(20)17-10-7-14(23)11-16(17)24/h5-11H,4,12H2,1-3H3