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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione Openeye Name: 7-[2-(4-isopropylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione Traditional Name: 7-(2-keto-2-p-cumenyl-ethyl)-1,3-dimethyl-xanthine Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-11(2)12-5-7-13(8-6-12)14(23)9-22-10-19-16-15(22)17(24)21(4)18(25)20(16)3/h5-8,10-11H,9H2,1-4H3