N4-(3-fluoranyl-4-methoxy-phenyl)-N2-(thiepan-4-yl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-(3-fluoranyl-4-methoxy-phenyl)-N2-(thiepan-4-yl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-(3-fluoro-4-methoxy-phenyl)-N2-(thiepan-4-yl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-(3-fluoro-4-methoxyphenyl)-N2-(4-thiepanyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(thiepan-4-yl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-amino-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]-(thiepan-4-yl)amine Formula: C16H21FN6OS MolecularWeight: 364.440943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)NC3CCCSCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)NC3CCCSCC3)F

InChI

InChI=1S/C16H21FN6OS/c1-24-13-5-4-11(9-12(13)17)20-16-22-14(18)21-15(23-16)19-10-3-2-7-25-8-6-10/h4-5,9-10H,2-3,6-8H2,1H3,(H4,18,19,20,21,22,23)