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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N)F

InChI

InChI=1S/C14H16FN5OS/c1-7-3-4-9(5-10(7)15)18-13(21)8(2)22-14-19-11(16)6-12(17)20-14/h3-6,8H,1-2H3,(H,18,21)(H4,16,17,19,20)