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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCN3CC)NC4CCCCCC4)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCN3CC)NC4CCCCCC4)Br

InChI

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