7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2R)-3-oxidanylidenebutan-2-yl]sulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1R)-1-methyl-2-oxo-propyl]sulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[[(2R)-3-oxobutan-2-yl]thio]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2R)-3-oxobutan-2-yl]sulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[[(1R)-2-keto-1-methyl-propyl]thio]-1,3-dimethyl-xanthine Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

C[C@H](C(=O)C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H19ClN4O3S/c1-10(24)11(2)27-17-20-15-14(16(25)22(4)18(26)21(15)3)23(17)9-12-7-5-6-8-13(12)19/h5-8,11H,9H2,1-4H3/t11-/m1/s1