5-bromanyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]-6-propyl-pyrimidin-4-amine

Systemtic Name: 5-bromanyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]-6-propyl-pyrimidin-4-amine Openeye Name: 5-bromo-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]-6-propyl-pyrimidin-4-amine CAS Name: 5-bromo-N-[2-(2-methyl-4-pentylphenoxy)ethyl]-6-propyl-4-pyrimidinamine IUPAC Name: 5-bromo-N-[2-(2-methyl-4-pentylphenoxy)ethyl]-6-propylpyrimidin-4-amine Traditional Name: 2-(4-amyl-2-methyl-phenoxy)ethyl-(5-bromo-6-propyl-pyrimidin-4-yl)amine Formula: C21H30BrN3O MolecularWeight: 420.3864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2Br)CCC)C

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2Br)CCC)C

InChI

InChI=1S/C21H30BrN3O/c1-4-6-7-9-17-10-11-19(16(3)14-17)26-13-12-23-21-20(22)18(8-5-2)24-15-25-21/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,23,24,25)