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

Systemtic Name: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-butoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-butoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C24H32N4O3 MolecularWeight: 424.53588

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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)N3CCC)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3CCC)CCC

InChI

InChI=1S/C24H32N4O3/c1-5-8-17-31-19-12-9-18(10-13-19)11-14-20-25-22-21(26(20)4)23(29)28(16-7-3)24(30)27(22)15-6-2/h9-14H,5-8,15-17H2,1-4H3/b14-11+