8-(1,3-benzodioxol-5-ylmethylamino)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-ylmethylamino)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(piperonylamino)xanthine Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H17N5O4/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)17-7-9-4-5-10-11(6-9)25-8-24-10/h4-6H,7-8H2,1-3H3,(H,17,18)