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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-6-(2-thienylmethoxy)-1,3,5-triazine-2,4-diamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(2-thenyloxy)-s-triazin-2-yl]amine Formula: C22H26FN5O2S MolecularWeight: 443.537543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)OCC3=CC=CS3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)OCC3=CC=CS3)NC4CCCCCC4)F

InChI

InChI=1S/C22H26FN5O2S/c1-29-19-11-10-16(13-18(19)23)25-21-26-20(24-15-7-4-2-3-5-8-15)27-22(28-21)30-14-17-9-6-12-31-17/h6,9-13,15H,2-5,7-8,14H2,1H3,(H2,24,25,26,27,28)