N2-(3-bromanyl-4-propoxy-phenyl)-N6-cycloheptyl-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-(3-bromanyl-4-propoxy-phenyl)-N6-cycloheptyl-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-(3-bromo-4-propoxy-phenyl)-N6-cycloheptyl-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-(3-bromo-4-propoxyphenyl)-N6-cycloheptyl-N4-[1-(2-pyrrolidinyl)propyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-(3-bromo-4-propoxyphenyl)-6-N-cycloheptyl-4-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-bromo-4-propoxy-anilino)-6-(cycloheptylamino)-s-triazin-2-yl]-(1-pyrrolidin-2-ylpropyl)amine Formula: C26H40BrN7O MolecularWeight: 546.5461

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC(CC)C3CCCN3)NC4CCCCCC4)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC(CC)C3CCCN3)NC4CCCCCC4)Br

InChI

InChI=1S/C26H40BrN7O/c1-3-16-35-23-14-13-19(17-20(23)27)30-25-32-24(29-18-10-7-5-6-8-11-18)33-26(34-25)31-21(4-2)22-12-9-15-28-22/h13-14,17-18,21-22,28H,3-12,15-16H2,1-2H3,(H3,29,30,31,32,33,34)