6-(azepan-1-yl)-N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-(azepan-1-yl)-6-(cycloheptylamino)-s-triazin-2-yl]-(3-fluoro-4-methoxy-phenyl)amine Formula: C23H33FN6O MolecularWeight: 428.546123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCCCCC3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCCCCC3)NC4CCCCCC4)F

InChI

InChI=1S/C23H33FN6O/c1-31-20-13-12-18(16-19(20)24)26-22-27-21(25-17-10-6-2-3-7-11-17)28-23(29-22)30-14-8-4-5-9-15-30/h12-13,16-17H,2-11,14-15H2,1H3,(H2,25,26,27,28,29)