7-[(3,4-dichlorophenyl)methyl]-1-(2-methylpropyl)-3-phenyl-purine-2,6-dione

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-1-(2-methylpropyl)-3-phenyl-purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-1-isobutyl-3-phenyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-1-(2-methylpropyl)-3-phenylpurine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-1-(2-methylpropyl)-3-phenylpurine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-1-isobutyl-3-phenyl-xanthine Formula: C22H20Cl2N4O2 MolecularWeight: 443.3258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(N=CN2CC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(N=CN2CC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20Cl2N4O2/c1-14(2)11-27-21(29)19-20(28(22(27)30)16-6-4-3-5-7-16)25-13-26(19)12-15-8-9-17(23)18(24)10-15/h3-10,13-14H,11-12H2,1-2H3