N6-(3-bromanyl-4-methoxy-phenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N6-(3-bromanyl-4-methoxy-phenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N6-(3-bromo-4-methoxy-phenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methyl-4-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N6-(3-bromo-4-methoxyphenyl)-N4-cycloheptyl-N2-methyl-N2-(1-methyl-4-piperidinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 6-N-(3-bromo-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-bromo-4-methoxy-anilino)-6-(cycloheptylamino)-s-triazin-2-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C24H36BrN7O MolecularWeight: 518.49294

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C24H36BrN7O/c1-31-14-12-19(13-15-31)32(2)24-29-22(26-17-8-6-4-5-7-9-17)28-23(30-24)27-18-10-11-21(33-3)20(25)16-18/h10-11,16-17,19H,4-9,12-15H2,1-3H3,(H2,26,27,28,29,30)