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

Systemtic Name: 3-methyl-9-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione Openeye Name: 9-[2-(4-isopropylphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-9-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-9-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione Traditional Name: 9-(2-keto-2-p-cumenyl-ethyl)-3-methyl-xanthine Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-10(2)11-4-6-12(7-5-11)13(22)8-21-9-18-14-15(23)19-17(24)20(3)16(14)21/h4-7,9-10H,8H2,1-3H3,(H,19,23,24)