N-[3-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC(=CC=C2)NC(=O)C3CCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC(=CC=C2)NC(=O)C3CCC3

InChI

InChI=1S/C22H28N4O2S/c1-14-19(15(2)25-22(24-14)29-3)10-11-20(27)23-13-16-6-4-9-18(12-16)26-21(28)17-7-5-8-17/h4,6,9,12,17H,5,7-8,10-11,13H2,1-3H3,(H,23,27)(H,26,28)