2-(azepan-1-ium-1-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azepan-1-iumylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H20N3OS2+ MolecularWeight: 346.4902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C17H19N3OS2/c21-16-15-12(13-6-5-9-22-13)11-23-17(15)19-14(18-16)10-20-7-3-1-2-4-8-20/h5-6,9,11H,1-4,7-8,10H2,(H,18,19,21)/p+1