6-[4-(1-adamantyl)piperazin-1-yl]-N4-propyl-N2-[4-(trifluoromethyloxy)phenyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[4-(1-adamantyl)piperazin-1-yl]-N4-propyl-N2-[4-(trifluoromethyloxy)phenyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[4-(1-adamantyl)piperazin-1-yl]-N4-propyl-N2-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[4-(1-adamantyl)-1-piperazinyl]-N4-propyl-N2-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[4-(1-adamantyl)piperazin-1-yl]-4-N-propyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-[4-(1-adamantyl)piperazino]-6-(propylamino)-s-triazin-2-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C27H36F3N7O MolecularWeight: 531.61625

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)OC(F)(F)F)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)OC(F)(F)F)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H36F3N7O/c1-2-7-31-23-33-24(32-21-3-5-22(6-4-21)38-27(28,29)30)35-25(34-23)36-8-10-37(11-9-36)26-15-18-12-19(16-26)14-20(13-18)17-26/h3-6,18-20H,2,7-17H2,1H3,(H2,31,32,33,34,35)