N4-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[4-(difluoromethylsulfonyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[4-(difluoromethylsulfonyl)phenyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[4-(difluoromethylsulfonyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-[4-(difluoromethylsulfonyl)phenyl]amine Formula: C11H9F2N5O4S MolecularWeight: 345.282066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N)S(=O)(=O)C(F)F

InChI

InChI=1S/C11H9F2N5O4S/c12-11(13)23(21,22)7-3-1-6(2-4-7)17-10-8(18(19)20)9(14)15-5-16-10/h1-5,11H,(H3,14,15,16,17)