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

Systemtic Name: 8-[(E)-2-(4-ethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-ethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-ethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-ethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 7-methyl-8-[(E)-2-p-phenetylvinyl]-1,3-dipropyl-xanthine Formula: C22H28N4O3 MolecularWeight: 396.48272

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-5-14-25-20-19(21(27)26(15-6-2)22(25)28)24(4)18(23-20)13-10-16-8-11-17(12-9-16)29-7-3/h8-13H,5-7,14-15H2,1-4H3/b13-10+