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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(p-anisylamino)xanthine Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=C(C=C3)OC)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=C(C=C3)OC)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN5O3/c1-26-19-18(20(29)27(2)22(26)30)28(13-15-6-4-5-7-17(15)23)21(25-19)24-12-14-8-10-16(31-3)11-9-14/h4-11H,12-13H2,1-3H3,(H,24,25)