2-azanyl-4-[3-azanyl-2,6-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-1-yl]-6-ethylsulfonyl-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-4-[3-azanyl-2,6-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-1-yl]-6-ethylsulfonyl-3-fluoranyl-benzenecarbonitrile Openeye Name: 2-amino-4-[3-amino-2,6-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-6-ethylsulfonyl-3-fluoro-benzonitrile CAS Name: 2-amino-4-[3-amino-2,6-dioxo-5-(trifluoromethyl)-1-pyrimidinyl]-6-ethylsulfonyl-3-fluorobenzonitrile IUPAC Name: 2-amino-4-[3-amino-2,6-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-6-ethylsulfonyl-3-fluorobenzonitrile Traditional Name: 2-amino-4-[3-amino-2,6-diketo-5-(trifluoromethyl)pyrimidin-1-yl]-6-esyl-3-fluoro-benzonitrile Formula: C14H11F4N5O4S MolecularWeight: 421.326853

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C(=C1)N2C(=O)C(=CN(C2=O)N)C(F)(F)F)F)N)C#N

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C(=C1)N2C(=O)C(=CN(C2=O)N)C(F)(F)F)F)N)C#N

InChI

InChI=1S/C14H11F4N5O4S/c1-2-28(26,27)9-3-8(10(15)11(20)6(9)4-19)23-12(24)7(14(16,17)18)5-22(21)13(23)25/h3,5H,2,20-21H2,1H3