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

Systemtic Name: 7-[2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(2,4-diisopropylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(2,4-diisopropylphenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C21H26N4O3 MolecularWeight: 382.45614

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-12(2)14-7-8-15(16(9-14)13(3)4)17(26)10-25-11-22-19-18(25)20(27)24(6)21(28)23(19)5/h7-9,11-13H,10H2,1-6H3