N-[3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]methyl]phenyl]-2-furamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC(=CC=C2)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC(=CC=C2)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C20H20N4O3S/c1-13-9-14(2)23-20(22-13)28-12-18(25)21-11-15-5-3-6-16(10-15)24-19(26)17-7-4-8-27-17/h3-10H,11-12H2,1-2H3,(H,21,25)(H,24,26)