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

Systemtic Name: 8-[(4-chlorophenyl)methylamino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylamino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylamino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylamino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)amino]-7-m-anisyl-1,3-dimethyl-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)Cl)CC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)OC

InChI

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