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

Systemtic Name: 7-[(2R)-1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1R)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1R)-2-(3-chlorophenyl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O3/c1-9(13(22)10-5-4-6-11(17)7-10)21-8-18-14-12(21)15(23)20(3)16(24)19(14)2/h4-9H,1-3H3/t9-/m1/s1