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

Systemtic Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C19H20N4O4 MolecularWeight: 368.3865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4/c1-4-22-17-16(18(24)23(5-2)19(22)25)21(3)15(20-17)9-7-12-6-8-13-14(10-12)27-11-26-13/h6-10H,4-5,11H2,1-3H3/b9-7+