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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(1-oxidanyl-2-phenylazanyl-ethyl)purine-2,6-dione Openeye Name: 8-(2-anilino-1-hydroxy-ethyl)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2-anilino-1-hydroxyethyl)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(2-anilino-1-hydroxyethyl)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(2-anilino-1-hydroxy-ethyl)-1-(3,4-dichlorobenzyl)-3,7-dimethyl-xanthine Formula: C22H21Cl2N5O3 MolecularWeight: 474.33984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(CNC3=CC=CC=C3)O)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1C(CNC3=CC=CC=C3)O)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C22H21Cl2N5O3/c1-27-18-20(26-19(27)17(30)11-25-14-6-4-3-5-7-14)28(2)22(32)29(21(18)31)12-13-8-9-15(23)16(24)10-13/h3-10,17,25,30H,11-12H2,1-2H3