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

Systemtic Name: 8-(1,3-benzodioxol-5-ylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-ylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-ylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-ylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-m-anisyl-1,3-dimethyl-8-(piperonylamino)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)NCC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)OC

InChI

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