N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-quinolin-3-yl-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-quinolin-3-yl-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N6-[(1-ethylpyrrolidin-2-yl)methyl]-N4-(3-quinolyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N6-[(1-ethyl-2-pyrrolidinyl)methyl]-N4-(3-quinolinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-quinolin-3-yl-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(3-quinolylamino)-s-triazin-2-yl]amine Formula: C26H36N8 MolecularWeight: 460.61764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CCN1CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H36N8/c1-2-34-15-9-13-22(34)18-28-24-31-25(29-20-11-5-3-4-6-12-20)33-26(32-24)30-21-16-19-10-7-8-14-23(19)27-17-21/h7-8,10,14,16-17,20,22H,2-6,9,11-13,15,18H2,1H3,(H3,28,29,30,31,32,33)