7-[(2-chloranyl-5-methoxy-phenyl)methyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[(2-chloro-5-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-(2-chloro-5-methoxy-benzyl)-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=CC=C3)CC4=C(C=CC(=C4)OC)Cl

Isomeric SMILES

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

InChI

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