5,6-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C23H28N7S2+ MolecularWeight: 466.64532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCC[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5)C

InChI

InChI=1S/C23H27N7S2/c1-16-17(2)32-22-19(16)21(27-20(28-22)18-6-3-15-31-18)24-9-5-10-29-11-13-30(14-12-29)23-25-7-4-8-26-23/h3-4,6-8,15H,5,9-14H2,1-2H3,(H,24,27,28)/p+1