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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[2-methyl-4-(4-methylpiperazino)phenyl]propionamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H31N5OS/c1-15-14-18(27-12-10-26(4)11-13-27)6-8-20(15)25-21(28)9-7-19-16(2)23-22(29-5)24-17(19)3/h6,8,14H,7,9-13H2,1-5H3,(H,25,28)