[3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C23H32N5OS+ MolecularWeight: 426.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C23H31N5OS/c1-17-18(2)24-23(25-21(17)27-9-4-5-10-27)30-16-19-7-6-8-20(15-19)22(29)28-13-11-26(3)12-14-28/h6-8,15H,4-5,9-14,16H2,1-3H3/p+1