3-methyl-9-[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]purine-2,6-dione

Systemtic Name: 3-methyl-9-[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]purine-2,6-dione Openeye Name: 3-methyl-9-[1-methyl-2-oxo-2-(p-tolyl)ethyl]purine-2,6-dione CAS Name: 3-methyl-9-[1-(4-methylphenyl)-1-oxopropan-2-yl]purine-2,6-dione IUPAC Name: 3-methyl-9-[1-(4-methylphenyl)-1-oxopropan-2-yl]purine-2,6-dione Traditional Name: 9-[2-keto-1-methyl-2-(p-tolyl)ethyl]-3-methyl-xanthine Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)N2C=NC3=C2N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)N2C=NC3=C2N(C(=O)NC3=O)C

InChI

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