1,3-dimethyl-8-[(E)-2-(2-methylphenyl)ethenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(E)-2-(2-methylphenyl)ethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(E)-2-(o-tolyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(E)-2-(2-methylphenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(E)-2-(2-methylphenyl)ethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(E)-2-(o-tolyl)vinyl]-7H-purine-2,6-quinone Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1/C=C/C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H16N4O2/c1-10-6-4-5-7-11(10)8-9-12-17-13-14(18-12)19(2)16(22)20(3)15(13)21/h4-9H,1-3H3,(H,17,18)/b9-8+