2-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C23H27N5O3S/c29-21(28-10-12-31-13-11-28)16-27-8-6-26(7-9-27)15-20-24-22(30)18-14-19(32-23(18)25-20)17-4-2-1-3-5-17/h1-5,14H,6-13,15-16H2,(H,24,25,30)/p+1