8-[(1,3-benzodioxol-5-ylamino)methyl]-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(1,3-benzodioxol-5-ylamino)methyl]-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(1,3-benzodioxol-5-ylamino)methyl]-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(1,3-benzodioxol-5-ylamino)methyl]-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(1,3-benzodioxol-5-ylamino)methyl]-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(1,3-benzodioxol-5-ylamino)methyl]-7-m-anisyl-1,3-dimethyl-xanthine Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CNC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CNC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C23H23N5O5/c1-26-21-20(22(29)27(2)23(26)30)28(12-14-5-4-6-16(9-14)31-3)19(25-21)11-24-15-7-8-17-18(10-15)33-13-32-17/h4-10,24H,11-13H2,1-3H3