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

Systemtic Name: 1,3-dimethyl-7-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]purine-2,6-dione Traditional Name: 7-[(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl]-1,3-dimethyl-xanthine Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-10-5-7-12(8-6-10)14(22)11(2)21-9-18-15-13(21)16(23)20(4)17(24)19(15)3/h5-9,11H,1-4H3/t11-/m0/s1