4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-2-methyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-2-methyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-2-methyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-ethyl-2-methylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-2-methylthieno[2,3-d]pyrimidine Traditional Name: 6-ethyl-2-methyl-4-(4-piperonylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N4O2S/c1-3-16-11-17-20(22-14(2)23-21(17)28-16)25-8-6-24(7-9-25)12-15-4-5-18-19(10-15)27-13-26-18/h4-5,10-11H,3,6-9,12-13H2,1-2H3/p+1