2-(cycloheptylamino)-6-[(3-fluoranyl-4-methoxy-phenyl)amino]-1H-1,3,5-triazin-4-one

Systemtic Name: 2-(cycloheptylamino)-6-[(3-fluoranyl-4-methoxy-phenyl)amino]-1H-1,3,5-triazin-4-one Openeye Name: 2-(cycloheptylamino)-6-(3-fluoro-4-methoxy-anilino)-1H-1,3,5-triazin-4-one CAS Name: 2-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1H-1,3,5-triazin-4-one IUPAC Name: 2-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1H-1,3,5-triazin-4-one Traditional Name: 2-(cycloheptylamino)-6-(3-fluoro-4-methoxy-anilino)-1H-s-triazin-4-one Formula: C17H22FN5O2 MolecularWeight: 347.387283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=O)N=C(N2)NC3CCCCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=O)N=C(N2)NC3CCCCCC3)F

InChI

InChI=1S/C17H22FN5O2/c1-25-14-9-8-12(10-13(14)18)20-16-21-15(22-17(24)23-16)19-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H3,19,20,21,22,23,24)