2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O2S/c23-17-16-14(6-11-25-16)19-15(20-17)12-21-7-9-22(10-8-21)18(24)13-4-2-1-3-5-13/h1-6,11H,7-10,12H2,(H,19,20,23)/p+1