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

Systemtic Name: 7-[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20N4O3/c1-10-6-7-11(2)13(8-10)15(23)12(3)22-9-19-16-14(22)17(24)21(5)18(25)20(16)4/h6-9,12H,1-5H3/t12-/m0/s1