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

Systemtic Name: [3-[4-[[5-(1-azanylethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazin-1-yl]-5-methoxy-phenyl] methylsulfanylmethanoate Openeye Name: [3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazin-1-yl]-5-methoxy-phenyl] methylsulfanylformate CAS Name: (methylthio)formic acid [3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-1-piperazinyl]-5-methoxyphenyl] ester IUPAC Name: [3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methylpyridin-3-yl]amino]piperazin-1-yl]-5-methoxyphenyl] methylsulfanylformate Traditional Name: (methylthio)formic acid [3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazino]-5-methoxy-phenyl] ester Formula: C22H31N5O4S MolecularWeight: 461.57764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4S/c1-14(23)19-13-20(21(30-4)24-15(19)2)25-27-8-6-26(7-9-27)16-10-17(29-3)12-18(11-16)31-22(28)32-5/h10-14,25H,6-9,23H2,1-5H3