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

Systemtic Name: 7-[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4/c1-10(14(22)11-5-7-12(25-4)8-6-11)21-9-18-15-13(21)16(23)20(3)17(24)19(15)2/h5-10H,1-4H3/t10-/m1/s1