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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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