4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-fluorophenyl)benzamide

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-fluorophenyl)benzamide Openeye Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-N-(2-fluorophenyl)benzamide CAS Name: 4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-N-(2-fluorophenyl)benzamide IUPAC Name: 4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-N-(2-fluorophenyl)benzamide Traditional Name: 4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-N-(2-fluorophenyl)benzamide Formula: C18H16FN5OS MolecularWeight: 369.415943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N)F

InChI

InChI=1S/C18H16FN5OS/c19-13-3-1-2-4-14(13)22-17(25)12-7-5-11(6-8-12)10-26-18-23-15(20)9-16(21)24-18/h1-9H,10H2,(H,22,25)(H4,20,21,23,24)