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

Systemtic Name: 2-[methyl-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[methyl-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[methyl-(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[methyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[methyl-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N(C)CC(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N(C)CC(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H25N5OS/c1-15-22-20(25(3)13-18(27)26-11-9-24(2)10-12-26)19-17(14-28-21(19)23-15)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3/p+1