5-(3-fluoranyl-4-methoxy-phenyl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine

Systemtic Name: 5-(3-fluoranyl-4-methoxy-phenyl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine Openeye Name: 5-(3-fluoro-4-methoxy-phenyl)-N-(tetrahydropyran-4-ylmethyl)-1,2,4-triazin-3-amine CAS Name: 5-(3-fluoro-4-methoxyphenyl)-N-(4-oxanylmethyl)-1,2,4-triazin-3-amine IUPAC Name: 5-(3-fluoro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine Traditional Name: [5-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazin-3-yl]-(tetrahydropyran-4-ylmethyl)amine Formula: C16H19FN4O2 MolecularWeight: 318.346063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=NC(=N2)NCC3CCOCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=NC(=N2)NCC3CCOCC3)F

InChI

InChI=1S/C16H19FN4O2/c1-22-15-3-2-12(8-13(15)17)14-10-19-21-16(20-14)18-9-11-4-6-23-7-5-11/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,20,21)