3-[[(2R)-oxan-2-yl]methyl]-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[[(2R)-oxan-2-yl]methyl]-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-3-[[(2R)-tetrahydropyran-2-yl]methyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[(2R)-2-oxanyl]methyl]-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[[(2R)-oxan-2-yl]methyl]-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)-3-[[(2R)-tetrahydropyran-2-yl]methyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC5CCCCO5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2C[C@H]5CCCCO5

InChI

InChI=1S/C22H27N3O2S2/c26-22-20-17(18-8-6-12-28-18)15-29-21(20)23-19(14-24-9-3-1-4-10-24)25(22)13-16-7-2-5-11-27-16/h6,8,12,15-16H,1-5,7,9-11,13-14H2/p+1/t16-/m1/s1