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

Systemtic Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1R)-1-(1-azepan-1-iumyl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-5-(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:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH+]4CCCCCC4

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH+]4CCCCCC4

InChI

InChI=1S/C18H21N3OS2/c1-12(21-8-4-2-3-5-9-21)16-19-17(22)15-13(11-24-18(15)20-16)14-7-6-10-23-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20,22)/p+1/t12-/m1/s1