2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-fluoranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-fluoro-5-nitro-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-fluoro-5-nitrophenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-fluoro-5-nitro-phenyl)acetamide Formula: C12H11FN6O3S MolecularWeight: 338.317543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN6O3S/c13-7-2-1-6(19(21)22)3-8(7)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)