2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-5-(5-methyl-2-thiophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H22N3OS2+ MolecularWeight: 360.51678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=C(S4)C)C(=O)N2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=C(S4)C)C(=O)N2

InChI

InChI=1S/C18H21N3OS2/c1-11-5-3-4-8-21(11)9-15-19-17(22)16-13(10-23-18(16)20-15)14-7-6-12(2)24-14/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,20,22)/p+1/t11-/m0/s1