5-ethyl-6-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-ethyl-6-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H30N4OS+2 MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C23H28N4OS/c1-3-19-17(2)29-23-21(19)22(28)24-20(25-23)16-27-14-12-26(13-15-27)11-7-10-18-8-5-4-6-9-18/h4-10H,3,11-16H2,1-2H3,(H,24,25,28)/p+2/b10-7+