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

Systemtic Name: 6-ethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 6-ethyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-ethylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N4S/c1-2-16-12-17-18(20-14-21-19(17)24-16)23-10-8-22(9-11-23)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3/p+1