5-bromanyl-N-[4-(4-butyl-2-methyl-phenoxy)butyl]-6-methyl-pyrimidin-4-amine

Systemtic Name: 5-bromanyl-N-[4-(4-butyl-2-methyl-phenoxy)butyl]-6-methyl-pyrimidin-4-amine Openeye Name: 5-bromo-N-[4-(4-butyl-2-methyl-phenoxy)butyl]-6-methyl-pyrimidin-4-amine CAS Name: 5-bromo-N-[4-(4-butyl-2-methylphenoxy)butyl]-6-methyl-4-pyrimidinamine IUPAC Name: 5-bromo-N-[4-(4-butyl-2-methylphenoxy)butyl]-6-methylpyrimidin-4-amine Traditional Name: (5-bromo-6-methyl-pyrimidin-4-yl)-[4-(4-butyl-2-methyl-phenoxy)butyl]amine Formula: C20H28BrN3O MolecularWeight: 406.35982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OCCCCNC2=NC=NC(=C2Br)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OCCCCNC2=NC=NC(=C2Br)C)C

InChI

InChI=1S/C20H28BrN3O/c1-4-5-8-17-9-10-18(15(2)13-17)25-12-7-6-11-22-20-19(21)16(3)23-14-24-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,22,23,24)