2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H23N4OS+ MolecularWeight: 367.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C20H22N4OS/c25-20-19-17(8-14-26-19)21-18(22-20)15-24-12-10-23(11-13-24)9-4-7-16-5-2-1-3-6-16/h1-8,14H,9-13,15H2,(H,21,22,25)/p+1/b7-4+