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

Systemtic Name: 1,3-diethyl-7-methyl-8-[(E)-2-(7-oxidanyl-1,3-benzodioxol-5-yl)ethenyl]purine-2,6-dione Openeye Name: 1,3-diethyl-8-[(E)-2-(7-hydroxy-1,3-benzodioxol-5-yl)vinyl]-7-methyl-purine-2,6-dione CAS Name: 1,3-diethyl-8-[(E)-2-(7-hydroxy-1,3-benzodioxol-5-yl)ethenyl]-7-methylpurine-2,6-dione IUPAC Name: 1,3-diethyl-8-[(E)-2-(7-hydroxy-1,3-benzodioxol-5-yl)ethenyl]-7-methylpurine-2,6-dione Traditional Name: 1,3-diethyl-8-[(E)-2-(7-hydroxy-1,3-benzodioxol-5-yl)vinyl]-7-methyl-xanthine Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5/c1-4-22-17-15(18(25)23(5-2)19(22)26)21(3)14(20-17)7-6-11-8-12(24)16-13(9-11)27-10-28-16/h6-9,24H,4-5,10H2,1-3H3/b7-6+