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

Systemtic Name: 2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C20H23N4OS2+ MolecularWeight: 399.55282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN=C2SCC(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN=C2SCC(=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS2/c1-14-17(15-6-4-3-5-7-15)18-19(21-13-22-20(18)27-14)26-12-16(25)24-10-8-23(2)9-11-24/h3-7,13H,8-12H2,1-2H3/p+1