6-(azepan-1-yl)-N2-(3-fluoranyl-4-methoxy-phenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-(3-fluoranyl-4-methoxy-phenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(3-fluoro-4-methoxy-phenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-s-triazin-2-yl]-(3-fluoro-4-methoxy-phenyl)amine Formula: C16H21FN6O MolecularWeight: 332.375943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)N3CCCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)N3CCCCCC3)F

InChI

InChI=1S/C16H21FN6O/c1-24-13-7-6-11(10-12(13)17)19-15-20-14(18)21-16(22-15)23-8-4-2-3-5-9-23/h6-7,10H,2-5,8-9H2,1H3,(H3,18,19,20,21,22)