[5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-2-furyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-2-furyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CC[NH+](CC3)C)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CC[NH+](CC3)C)N4CCCC4

InChI

InChI=1S/C21H29N5O2S/c1-3-16-14-19(25-8-4-5-9-25)23-21(22-16)29-15-17-6-7-18(28-17)20(27)26-12-10-24(2)11-13-26/h6-7,14H,3-5,8-13,15H2,1-2H3/p+1