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

Systemtic Name: N4-(3-fluoranyl-4-methoxy-phenyl)-N2-(1-methylazepan-4-yl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-(3-fluoro-4-methoxy-phenyl)-N2-(1-methylazepan-4-yl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-(3-fluoro-4-methoxyphenyl)-N2-(1-methyl-4-azepanyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-(3-fluoro-4-methoxyphenyl)-2-N-(1-methylazepan-4-yl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-amino-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]-(1-methylazepan-4-yl)amine Formula: C17H24FN7O MolecularWeight: 361.417163

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N

Isomeric SMILES

CN1CCCC(CC1)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N

InChI

InChI=1S/C17H24FN7O/c1-25-8-3-4-11(7-9-25)20-16-22-15(19)23-17(24-16)21-12-5-6-14(26-2)13(18)10-12/h5-6,10-11H,3-4,7-9H2,1-2H3,(H4,19,20,21,22,23,24)