4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-6-ethylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-6-ethylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine Formula: C21H23N4S2+ MolecularWeight: 395.56412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CSC5=CC=CC=C54

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CSC5=CC=CC=C54

InChI

InChI=1S/C21H22N4S2/c1-2-16-11-18-20(22-14-23-21(18)27-16)25-9-7-24(8-10-25)12-15-13-26-19-6-4-3-5-17(15)19/h3-6,11,13-14H,2,7-10,12H2,1H3/p+1