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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN4O2S/c1-11-15(12(2)23-18(22-11)26-10-16(20)24)7-8-17(25)21-9-13-3-5-14(19)6-4-13/h3-6H,7-10H2,1-2H3,(H2,20,24)(H,21,25)