[2-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-pyridin-3-yl]amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanyl-methanone

Systemtic Name: [2-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-pyridin-3-yl]amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanyl-methanone Openeye Name: [2-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-3-pyridyl]amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanyl-methanone CAS Name: [[2-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-3-pyridinyl]amino]-1-piperazinyl]phenyl]thio]-(methylthio)methanone IUPAC Name: [2-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxypyridin-3-yl]amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanylmethanone Traditional Name: [[2-[4-[(6-ethyl-2-methoxy-5-methylol-3-pyridyl)amino]piperazino]phenyl]thio]-(methylthio)methanone Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1CO)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC

Isomeric SMILES

CCC1=NC(=C(C=C1CO)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC

InChI

InChI=1S/C21H28N4O3S2/c1-4-16-15(14-26)13-17(20(22-16)28-2)23-25-11-9-24(10-12-25)18-7-5-6-8-19(18)30-21(27)29-3/h5-8,13,23,26H,4,9-12,14H2,1-3H3