N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-(2-thienylmethyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-N6-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(2-thenylamino)-s-triazin-2-yl]amine Formula: C22H27FN6OS MolecularWeight: 442.552783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3=CC=CS3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3=CC=CS3)NC4CCCCCC4)F

InChI

InChI=1S/C22H27FN6OS/c1-30-19-11-10-16(13-18(19)23)26-22-28-20(24-14-17-9-6-12-31-17)27-21(29-22)25-15-7-4-2-3-5-8-15/h6,9-13,15H,2-5,7-8,14H2,1H3,(H3,24,25,26,27,28,29)