5-(furan-2-yl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H20N4O2S+2 MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C16H18N4O2S/c1-19-4-6-20(7-5-19)9-13-17-15(21)14-11(10-23-16(14)18-13)12-3-2-8-22-12/h2-3,8,10H,4-7,9H2,1H3,(H,17,18,21)/p+2