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

Systemtic Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-methylphenyl)ethenyl]purine-2,6-dione Openeye Name: 1,3-diethyl-7-methyl-8-[(E)-2-(p-tolyl)vinyl]purine-2,6-dione CAS Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-methylphenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-methylphenyl)ethenyl]purine-2,6-dione Traditional Name: 1,3-diethyl-7-methyl-8-[(E)-2-(p-tolyl)vinyl]xanthine Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2/c1-5-22-17-16(18(24)23(6-2)19(22)25)21(4)15(20-17)12-11-14-9-7-13(3)8-10-14/h7-12H,5-6H2,1-4H3/b12-11+