N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-3-(phenylthio)propionamide Formula: C20H27N5O2S MolecularWeight: 401.52568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2S/c1-24-9-11-25(12-10-24)18-15-20(23-16-22-18)27-13-8-21-19(26)7-14-28-17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3,(H,21,26)