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

Systemtic Name: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-butoxyphenyl)vinyl]-1,3-diethyl-7-methyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-butoxyphenyl)vinyl]-1,3-diethyl-7-methyl-xanthine Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(N2C)C(=O)N(C(=O)N3CC)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3CC)CC

InChI

InChI=1S/C22H28N4O3/c1-5-8-15-29-17-12-9-16(10-13-17)11-14-18-23-20-19(24(18)4)21(27)26(7-3)22(28)25(20)6-2/h9-14H,5-8,15H2,1-4H3/b14-11+