2-[methyl-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[methyl-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[methyl-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[methyl-(5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[methyl-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[methyl-(5-methyl-6-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=C(SC2=NC=NC(=C12)N(C)CC(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N(C)CC(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

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