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

Systemtic Name: 8-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3,4-diethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3,4-diethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3,4-diethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C24H32N4O4 MolecularWeight: 440.53528

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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)OCC)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O4/c1-6-14-27-22-21(23(29)28(15-7-2)24(27)30)26(5)20(25-22)13-11-17-10-12-18(31-8-3)19(16-17)32-9-4/h10-13,16H,6-9,14-15H2,1-5H3/b13-11+