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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(3-piperidinosulfonylphenyl)propionamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28N4O3S2/c1-15-19(16(2)23-21(22-15)29-3)10-11-20(26)24-17-8-7-9-18(14-17)30(27,28)25-12-5-4-6-13-25/h7-9,14H,4-6,10-13H2,1-3H3,(H,24,26)