3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-morpholino-2-oxo-ethyl)-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-morpholinyl)-2-oxoethyl]-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-morpholin-4-yl-2-oxoethyl)-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-keto-2-morpholino-ethyl)-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H27N4O3S2+ MolecularWeight: 459.60478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC(=O)N5CCOCC5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC(=O)N5CCOCC5

InChI

InChI=1S/C22H26N4O3S2/c27-19(25-8-10-29-11-9-25)14-26-18(13-24-6-2-1-3-7-24)23-21-20(22(26)28)16(15-31-21)17-5-4-12-30-17/h4-5,12,15H,1-3,6-11,13-14H2/p+1