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

Systemtic Name: [4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)N(C)C

InChI

InChI=1S/C20H27N5OS/c1-15-13-18(23(2)3)22-20(21-15)27-14-16-5-7-17(8-6-16)19(26)25-11-9-24(4)10-12-25/h5-8,13H,9-12,14H2,1-4H3/p+1