2-(azepan-1-ium-1-ylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azepan-1-iumylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C19H21N3OS/c23-18-15-12-16(14-8-4-3-5-9-14)24-19(15)21-17(20-18)13-22-10-6-1-2-7-11-22/h3-5,8-9,12H,1-2,6-7,10-11,13H2,(H,20,21,23)/p+1