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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[2-(4-methyl-1-piperazinyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[2-(4-methylpiperazino)phenyl]propionamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC=C2N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=CC=C2N3CCN(CC3)C

InChI

InChI=1S/C21H29N5OS/c1-15-17(16(2)23-21(22-15)28-4)9-10-20(27)24-18-7-5-6-8-19(18)26-13-11-25(3)12-14-26/h5-8H,9-14H2,1-4H3,(H,24,27)