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

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(phenylmethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-benzyl-N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-N6-(phenylmethyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-benzyl-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: benzyl-[4-(cycloheptylamino)-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]amine Formula: C24H29FN6O MolecularWeight: 436.525063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3=CC=CC=C3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3=CC=CC=C3)NC4CCCCCC4)F

InChI

InChI=1S/C24H29FN6O/c1-32-21-14-13-19(15-20(21)25)28-24-30-22(26-16-17-9-5-4-6-10-17)29-23(31-24)27-18-11-7-2-3-8-12-18/h4-6,9-10,13-15,18H,2-3,7-8,11-12,16H2,1H3,(H3,26,27,28,29,30,31)