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

Systemtic Name: N-[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]phenyl]-2-furamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H22N4O3S/c1-13-17(14(2)23-21(22-13)29-3)10-11-19(26)24-15-6-8-16(9-7-15)25-20(27)18-5-4-12-28-18/h4-9,12H,10-11H2,1-3H3,(H,24,26)(H,25,27)