3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-(4-methyl-1-piperazinyl)propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(4-methylpiperazino)propionamide Formula: C15H25N5OS MolecularWeight: 323.4569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NN2CCN(CC2)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NN2CCN(CC2)C

InChI

InChI=1S/C15H25N5OS/c1-11-13(12(2)17-15(16-11)22-4)5-6-14(21)18-20-9-7-19(3)8-10-20/h5-10H2,1-4H3,(H,18,21)