N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methyl-6-morpholin-4-yl-5-nitro-pyrimidin-2-amine

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methyl-6-morpholin-4-yl-5-nitro-pyrimidin-2-amine Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-methyl-6-morpholino-5-nitro-pyrimidin-2-amine CAS Name: N-[4-(difluoromethylthio)phenyl]-4-methyl-6-(4-morpholinyl)-5-nitro-2-pyrimidinamine IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-methyl-6-morpholin-4-yl-5-nitropyrimidin-2-amine Traditional Name: [4-(difluoromethylthio)phenyl]-(4-methyl-6-morpholino-5-nitro-pyrimidin-2-yl)amine Formula: C16H17F2N5O3S MolecularWeight: 397.399686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)SC(F)F)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)SC(F)F)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17F2N5O3S/c1-10-13(23(24)25)14(22-6-8-26-9-7-22)21-16(19-10)20-11-2-4-12(5-3-11)27-15(17)18/h2-5,15H,6-9H2,1H3,(H,19,20,21)