9-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 9-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 9-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 9-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 9-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 9-[2-(2,4-dimethylphenyl)-2-keto-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)CN2C=NC3=C2N(C(=O)NC3=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C2N(C(=O)NC3=O)C)C

InChI

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