8-(1,3-benzodioxol-5-yl)-1,9-dimethyl-3H-purine-2,6-dione

Systemtic Name: 8-(1,3-benzodioxol-5-yl)-1,9-dimethyl-3H-purine-2,6-dione Openeye Name: 8-(1,3-benzodioxol-5-yl)-1,9-dimethyl-3H-purine-2,6-dione CAS Name: 8-(1,3-benzodioxol-5-yl)-1,9-dimethyl-3H-purine-2,6-dione IUPAC Name: 8-(1,3-benzodioxol-5-yl)-1,9-dimethyl-3H-purine-2,6-dione Traditional Name: 8-(1,3-benzodioxol-5-yl)-1,9-dimethyl-xanthine Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC4=C(C=C3)OCO4

InChI

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