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

Systemtic Name: [2-[4-[[5-(1-azanylethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanyl-methanone Openeye Name: [2-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanyl-methanone CAS Name: [[2-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-1-piperazinyl]phenyl]thio]-(methylthio)methanone IUPAC Name: [2-[4-[[5-(1-aminoethyl)-2-methoxy-6-methylpyridin-3-yl]amino]piperazin-1-yl]phenyl]sulfanyl-methylsulfanylmethanone Traditional Name: [[2-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazino]phenyl]thio]-(methylthio)methanone Formula: C21H29N5O2S2 MolecularWeight: 447.61726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(C)N)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(C)N)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC

InChI

InChI=1S/C21H29N5O2S2/c1-14(22)16-13-17(20(28-3)23-15(16)2)24-26-11-9-25(10-12-26)18-7-5-6-8-19(18)30-21(27)29-4/h5-8,13-14,24H,9-12,22H2,1-4H3