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

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(3-chloro-4-fluoro-phenyl)propanamide CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]-N-(3-chloro-4-fluorophenyl)propanamide IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-chloro-4-fluorophenyl)propanamide Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]-N-(3-chloro-4-fluoro-phenyl)propionamide Formula: C17H18ClFN4O2S MolecularWeight: 396.866823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H18ClFN4O2S/c1-9-12(10(2)22-17(21-9)26-8-15(20)24)4-6-16(25)23-11-3-5-14(19)13(18)7-11/h3,5,7H,4,6,8H2,1-2H3,(H2,20,24)(H,23,25)