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

Systemtic Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylphenyl)ethenyl]purine-2,6-dione Openeye Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylphenyl)vinyl]purine-2,6-dione CAS Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylphenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylphenyl)ethenyl]purine-2,6-dione Traditional Name: 1,3-diethyl-7-methyl-8-[(E)-2-(4-phenylphenyl)vinyl]xanthine Formula: C24H24N4O2 MolecularWeight: 400.47296

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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)C4=CC=CC=C4)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H24N4O2/c1-4-27-22-21(23(29)28(5-2)24(27)30)26(3)20(25-22)16-13-17-11-14-19(15-12-17)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3/b16-13+