5-phenyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H23N4OS2+ MolecularWeight: 423.57422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H22N4OS2/c27-21-20-18(17-4-2-1-3-5-17)15-29-22(20)24-19(23-21)13-26-9-7-25(8-10-26)12-16-6-11-28-14-16/h1-6,11,14-15H,7-10,12-13H2,(H,23,24,27)/p+1