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

Systemtic Name: 4-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]benzamide Openeye Name: 4-[[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]methyl]benzamide CAS Name: 4-[[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]methyl]benzamide IUPAC Name: 4-[[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]methyl]benzamide Traditional Name: 4-[[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]methyl]benzamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-11-15(12(2)22-18(21-11)25-3)8-9-16(23)20-10-13-4-6-14(7-5-13)17(19)24/h4-7H,8-10H2,1-3H3,(H2,19,24)(H,20,23)