N-[4-[1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[1-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]ethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[1-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C)C2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C)C2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C22H28N4O2S/c1-13(16-7-9-18(10-8-16)26-21(28)17-5-6-17)23-20(27)12-11-19-14(2)24-22(29-4)25-15(19)3/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,23,27)(H,26,28)