1,3-dimethyl-7-[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl]purine-2,6-dione Traditional Name: 7-[(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)N2C=NC3=C2C(=O)N(C(=O)N3C)C)C)C

InChI

InChI=1S/C19H22N4O3/c1-10-7-12(3)14(8-11(10)2)16(24)13(4)23-9-20-17-15(23)18(25)22(6)19(26)21(17)5/h7-9,13H,1-6H3/t13-/m0/s1