4-chloranyl-2-phenyl-5-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]piperazino]pyridazin-3-one Formula: C22H19ClN6O2S2 MolecularWeight: 499.00826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CSC4=NC=NC5=C4C=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CSC4=NC=NC5=C4C=CS5

InChI

InChI=1S/C22H19ClN6O2S2/c23-19-17(12-26-29(22(19)31)15-4-2-1-3-5-15)27-7-9-28(10-8-27)18(30)13-33-21-16-6-11-32-20(16)24-14-25-21/h1-6,11-12,14H,7-10,13H2