2-[methyl-(5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[methyl-(5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[methyl-[5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[methyl-[5-phenyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]amino]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[methyl-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[methyl-[5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C25H27N6OS+ MolecularWeight: 459.58648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N6OS/c1-29-11-13-31(14-12-29)21(32)16-30(2)24-22-20(18-7-4-3-5-8-18)17-33-25(22)28-23(27-24)19-9-6-10-26-15-19/h3-10,15,17H,11-14,16H2,1-2H3/p+1