8-[(E)-2-(3-ethanoyl-4-methoxy-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-ethanoyl-4-methoxy-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-acetyl-4-methoxy-phenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-acetyl-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-acetyl-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-acetyl-4-methoxy-phenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)C(=O)C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)C(=O)C)C

InChI

InChI=1S/C23H28N4O4/c1-6-12-26-21-20(22(29)27(13-7-2)23(26)30)25(4)19(24-21)11-9-16-8-10-18(31-5)17(14-16)15(3)28/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+