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

Systemtic Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3-diethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3-diethyl-7H-purine-2,6-quinone Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N4O4/c1-3-21-16-15(17(23)22(4-2)18(21)24)19-14(20-16)8-6-11-5-7-12-13(9-11)26-10-25-12/h5-9H,3-4,10H2,1-2H3,(H,19,20)/b8-6+