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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine Formula: C22H21Cl2N5O3 MolecularWeight: 474.33984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C22H21Cl2N5O3/c1-27-18-19(26-21(27)25-11-13-4-8-16(32-3)9-5-13)28(2)22(31)29(20(18)30)12-14-6-7-15(23)10-17(14)24/h4-10H,11-12H2,1-3H3,(H,25,26)