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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5,6-dimethyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-(4-piperonylpiperazin-4-ium-1-yl)-2-(3-pyridyl)thieno[2,3-d]pyrimidine Formula: C25H26N5O2S+ MolecularWeight: 460.57124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CN=CC=C6)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CN=CC=C6)C

InChI

InChI=1S/C25H25N5O2S/c1-16-17(2)33-25-22(16)24(27-23(28-25)19-4-3-7-26-13-19)30-10-8-29(9-11-30)14-18-5-6-20-21(12-18)32-15-31-20/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1