[2-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazin-1-yl]phenyl] methylsulfanylmethanoate

Systemtic Name: [2-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazin-1-yl]phenyl] methylsulfanylmethanoate Openeye Name: [2-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazin-1-yl]phenyl] methylsulfanylformate CAS Name: (methylthio)formic acid [2-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-1-piperazinyl]phenyl] ester IUPAC Name: [2-[4-[[5-(hydroxymethyl)-2-methoxy-6-methylpyridin-3-yl]amino]piperazin-1-yl]phenyl] methylsulfanylformate Traditional Name: (methylthio)formic acid [2-[4-[(2-methoxy-6-methyl-5-methylol-3-pyridyl)amino]piperazino]phenyl] ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1CO)NN2CCN(CC2)C3=CC=CC=C3OC(=O)SC)OC

Isomeric SMILES

CC1=NC(=C(C=C1CO)NN2CCN(CC2)C3=CC=CC=C3OC(=O)SC)OC

InChI

InChI=1S/C20H26N4O4S/c1-14-15(13-25)12-16(19(21-14)27-2)22-24-10-8-23(9-11-24)17-6-4-5-7-18(17)28-20(26)29-3/h4-7,12,22,25H,8-11,13H2,1-3H3