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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C24H36BrN7O/c1-3-19(20-11-8-14-26-20)29-24-31-22(27-16-9-6-4-5-7-10-16)30-23(32-24)28-17-12-13-21(33-2)18(25)15-17/h12-13,15-16,19-20,26H,3-11,14H2,1-2H3,(H3,27,28,29,30,31,32)