7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-m-anisyl-1,3-dimethyl-xanthine Formula: C22H23N5O3 MolecularWeight: 405.44972

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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=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3/c1-25-19-18(20(28)26(2)22(25)29)27(14-16-10-7-11-17(12-16)30-3)21(24-19)23-13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,23,24)