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

Systemtic Name: 6-ethyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one Formula: C18H23N4OS2+ MolecularWeight: 375.53142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C18H22N4OS2/c1-2-14-10-16-17(25-14)19-12-22(18(16)23)13-21-7-5-20(6-8-21)11-15-4-3-9-24-15/h3-4,9-10,12H,2,5-8,11,13H2,1H3/p+1