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

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azepan-1-iumylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H21ClN3OS+ MolecularWeight: 374.90754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

InChI

InChI=1S/C19H20ClN3OS/c20-15-8-4-3-7-13(15)14-12-25-19-17(14)18(24)21-16(22-19)11-23-9-5-1-2-6-10-23/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,21,22,24)/p+1