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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[6-(3-ketopiperazino)-3-pyridyl]propionamide Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C19H24N6O2S/c1-12-15(13(2)23-19(22-12)28-3)5-7-17(26)24-14-4-6-16(21-10-14)25-9-8-20-18(27)11-25/h4,6,10H,5,7-9,11H2,1-3H3,(H,20,27)(H,24,26)