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

Systemtic Name: 2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C16H17N4O3S+ MolecularWeight: 345.39618

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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=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=CC=CO4

InChI

InChI=1S/C16H16N4O3S/c21-15-14-11(3-9-24-14)17-13(18-15)10-19-4-6-20(7-5-19)16(22)12-2-1-8-23-12/h1-3,8-9H,4-7,10H2,(H,17,18,21)/p+1