2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3-fluoro-4-methyl-phenyl)methyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3-fluoro-4-methylphenyl)methyl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3-fluoro-4-methyl-benzyl)acetamide Formula: C14H16FN5OS MolecularWeight: 321.373143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CSC2=NC(=CC(=N2)N)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CSC2=NC(=CC(=N2)N)N)F

InChI

InChI=1S/C14H16FN5OS/c1-8-2-3-9(4-10(8)15)6-18-13(21)7-22-14-19-11(16)5-12(17)20-14/h2-5H,6-7H2,1H3,(H,18,21)(H4,16,17,19,20)