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

Systemtic Name: [4-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)N(C)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C)N(C)C

InChI

InChI=1S/C21H29N5OS/c1-5-18-14-19(24(2)3)23-21(22-18)28-15-16-6-8-17(9-7-16)20(27)26-12-10-25(4)11-13-26/h6-9,14H,5,10-13,15H2,1-4H3/p+1