[3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-[[[4-tert-butyl-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-[[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)C)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)C)N(C)C

InChI

InChI=1S/C23H33N5OS/c1-23(2,3)19-15-20(26(4)5)25-22(24-19)30-16-17-8-7-9-18(14-17)21(29)28-12-10-27(6)11-13-28/h7-9,14-15H,10-13,16H2,1-6H3/p+1