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

Systemtic Name: 6-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 6-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 6-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4S/c1-2-18-15-19-20(22-16-23-21(19)26-18)25-13-11-24(12-14-25)10-6-9-17-7-4-3-5-8-17/h3-9,15-16H,2,10-14H2,1H3/p+1/b9-6+