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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-fluoranyl-2-nitro-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-fluoro-2-nitro-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4-fluoro-2-nitrophenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-fluoro-2-nitrophenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-fluoro-2-nitro-phenyl)acetamide Formula: C12H11FN6O3S MolecularWeight: 338.317543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=C(C=C1F)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H11FN6O3S/c13-6-1-2-7(8(3-6)19(21)22)16-11(20)5-23-12-17-9(14)4-10(15)18-12/h1-4H,5H2,(H,16,20)(H4,14,15,17,18)