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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methyl-propanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3-fluorobenzyl)-N-methyl-propionamide Formula: C15H18FN5OS MolecularWeight: 335.399723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18FN5OS/c1-9(23-15-19-12(17)7-13(18)20-15)14(22)21(2)8-10-4-3-5-11(16)6-10/h3-7,9H,8H2,1-2H3,(H4,17,18,19,20)