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

Systemtic Name: 7-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20N4O3/c1-5-12-6-8-13(9-7-12)15(23)11(2)22-10-19-16-14(22)17(24)21(4)18(25)20(16)3/h6-11H,5H2,1-4H3/t11-/m0/s1