3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[4-(isopropylcarbamoylamino)benzyl]propionamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2S/c1-13(2)23-20(28)26-17-8-6-16(7-9-17)12-22-19(27)11-10-18-14(3)24-21(29-5)25-15(18)4/h6-9,13H,10-12H2,1-5H3,(H,22,27)(H2,23,26,28)