6-azanyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-pyrimidin-4-one Formula: C11H6F3N5O5S MolecularWeight: 377.25605

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NC(=O)C=C(N2)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NC(=O)C=C(N2)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H6F3N5O5S/c12-11(13,14)4-1-5(18(21)22)9(6(2-4)19(23)24)25-10-16-7(15)3-8(20)17-10/h1-3H,(H3,15,16,17,20)