8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H14N4O4/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)6-4-9-3-5-10-11(7-9)24-8-23-10/h3-7H,8H2,1-2H3,(H,17,18)/b6-4+