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

Systemtic Name: 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-N-methyl-benzamide Openeye Name: 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-N-methyl-benzamide CAS Name: 4-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-N-methylbenzamide IUPAC Name: 4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-methylbenzamide Traditional Name: 4-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-N-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)NC2=CC=C(C=C2)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-11-15(12(2)21-18(20-11)25-4)9-10-16(23)22-14-7-5-13(6-8-14)17(24)19-3/h5-8H,9-10H2,1-4H3,(H,19,24)(H,22,23)