1-phenyl-2-[6-pyridin-3-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine

Systemtic Name: 1-phenyl-2-[6-pyridin-3-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine Openeye Name: 1-phenyl-2-[6-(3-pyridyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine CAS Name: 1-phenyl-2-[6-(3-pyridinyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine IUPAC Name: 1-phenyl-2-[6-pyridin-3-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine Traditional Name: 1-phenyl-2-[6-(3-pyridyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]guanidine Formula: C17H12F6N6O MolecularWeight: 430.307199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC2=NC(N=C(O2)C3=CN=CC=C3)(C(F)(F)F)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)N/C(=N/C2=NC(N=C(O2)C3=CN=CC=C3)(C(F)(F)F)C(F)(F)F)/N

InChI

InChI=1S/C17H12F6N6O/c18-16(19,20)15(17(21,22)23)28-12(10-5-4-8-25-9-10)30-14(29-15)27-13(24)26-11-6-2-1-3-7-11/h1-9H,(H3,24,26,27,29)