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

Systemtic Name: 1,3-diethyl-8-[(E)-2-(2-methoxyphenyl)ethenyl]-7-methyl-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[(E)-2-(2-methoxyphenyl)vinyl]-7-methyl-purine-2,6-dione CAS Name: 1,3-diethyl-8-[(E)-2-(2-methoxyphenyl)ethenyl]-7-methylpurine-2,6-dione IUPAC Name: 1,3-diethyl-8-[(E)-2-(2-methoxyphenyl)ethenyl]-7-methylpurine-2,6-dione Traditional Name: 1,3-diethyl-8-[(E)-2-(2-methoxyphenyl)vinyl]-7-methyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC=CC=C3OC)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC=CC=C3OC)C

InChI

InChI=1S/C19H22N4O3/c1-5-22-17-16(18(24)23(6-2)19(22)25)21(3)15(20-17)12-11-13-9-7-8-10-14(13)26-4/h7-12H,5-6H2,1-4H3/b12-11+