8-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanyl-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]-7-ethyl-1,3-dimethyl-xanthine Formula: C23H20ClN5O3S2 MolecularWeight: 514.0196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H20ClN5O3S2/c1-4-28-19-20(26(2)23(32)27(3)21(19)31)25-22(28)33-12-18(30)29-14-7-5-6-8-16(14)34-17-10-9-13(24)11-15(17)29/h5-11H,4,12H2,1-3H3