8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-7-isopropyl-3-methyl-xanthine Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H17ClN4O3S/c1-9(2)22-13-14(21(3)16(25)20-15(13)24)19-17(22)26-8-12(23)10-4-6-11(18)7-5-10/h4-7,9H,8H2,1-3H3,(H,20,24,25)