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

Systemtic Name: [3-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-pyridin-3-yl]amino]piperazin-1-yl]-5-methoxy-phenyl] methylsulfanylmethanoate Openeye Name: [3-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-3-pyridyl]amino]piperazin-1-yl]-5-methoxy-phenyl] methylsulfanylformate CAS Name: (methylthio)formic acid [3-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-3-pyridinyl]amino]-1-piperazinyl]-5-methoxyphenyl] ester IUPAC Name: [3-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxypyridin-3-yl]amino]piperazin-1-yl]-5-methoxyphenyl] methylsulfanylformate Traditional Name: (methylthio)formic acid [3-[4-[(6-ethyl-2-methoxy-5-methylol-3-pyridyl)amino]piperazino]-5-methoxy-phenyl] ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-5-19-15(14-27)10-20(21(23-19)30-3)24-26-8-6-25(7-9-26)16-11-17(29-2)13-18(12-16)31-22(28)32-4/h10-13,24,27H,5-9,14H2,1-4H3