8-(1,3-benzodioxol-5-yl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yl)-3,7-dimethyl-xanthine Formula: C14H12N4O4 MolecularWeight: 300.26948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC4=C(C=C3)OCO4)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC4=C(C=C3)OCO4)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H12N4O4/c1-17-10-12(18(2)14(20)16-13(10)19)15-11(17)7-3-4-8-9(5-7)22-6-21-8/h3-5H,6H2,1-2H3,(H,16,19,20)