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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-6-phenyl-4-(4-piperonylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H24N4O2S/c1-17-26-24(20-14-23(32-25(20)27-17)19-5-3-2-4-6-19)29-11-9-28(10-12-29)15-18-7-8-21-22(13-18)31-16-30-21/h2-8,13-14H,9-12,15-16H2,1H3/p+1