3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(2-fluoranyl-4-methyl-phenyl)propanamide

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(2-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(2-fluoro-4-methyl-phenyl)propanamide CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]-N-(2-fluoro-4-methylphenyl)propanamide IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(2-fluoro-4-methylphenyl)propanamide Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]-N-(2-fluoro-4-methyl-phenyl)propionamide Formula: C18H21FN4O2S MolecularWeight: 376.448343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SCC(=O)N)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SCC(=O)N)C)F

InChI

InChI=1S/C18H21FN4O2S/c1-10-4-6-15(14(19)8-10)23-17(25)7-5-13-11(2)21-18(22-12(13)3)26-9-16(20)24/h4,6,8H,5,7,9H2,1-3H3,(H2,20,24)(H,23,25)