1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(p-tolyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(p-tolyl)ethyl]-1,3-dimethyl-xanthine Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H16N4O3/c1-10-4-6-11(7-5-10)12(21)8-20-9-17-14-13(20)15(22)19(3)16(23)18(14)2/h4-7,9H,8H2,1-3H3