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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)-2-phenyl-ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenyl-acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-fluorophenyl)-2-phenylacetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-fluorophenyl)-2-phenyl-acetamide Formula: C18H16FN5OS MolecularWeight: 369.415943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)F)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H16FN5OS/c19-12-6-8-13(9-7-12)22-17(25)16(11-4-2-1-3-5-11)26-18-23-14(20)10-15(21)24-18/h1-10,16H,(H,22,25)(H4,20,21,23,24)