2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C21H19ClN6O2S MolecularWeight: 454.93256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CS3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CS3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C21H19ClN6O2S/c22-18-16(12-23-28(21(18)30)14-4-2-1-3-5-14)27-9-7-26(8-10-27)13-17-24-15-6-11-31-19(15)20(29)25-17/h1-6,11-12H,7-10,13H2,(H,24,25,29)