8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1,3-dimethyl-7-propyl-xanthine Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

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