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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]-2-phenyl-ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-2-phenyl-acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-2-phenylacetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-fluorobenzyl)-2-phenyl-acetamide Formula: C19H18FN5OS MolecularWeight: 383.442523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)F)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)F)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C19H18FN5OS/c20-14-8-6-12(7-9-14)11-23-18(26)17(13-4-2-1-3-5-13)27-19-24-15(21)10-16(22)25-19/h1-10,17H,11H2,(H,23,26)(H4,21,22,24,25)