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

Systemtic Name: 3-[[(2S)-oxolan-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-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[(2S)-2-oxolanyl]methyl]-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[[(2S)-oxolan-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-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC5CCCO5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2C[C@@H]5CCCO5

InChI

InChI=1S/C21H25N3O2S2/c25-21-19-16(17-7-5-11-27-17)14-28-20(19)22-18(13-23-8-2-1-3-9-23)24(21)12-15-6-4-10-26-15/h5,7,11,14-15H,1-4,6,8-10,12-13H2/p+1/t15-/m0/s1