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

Systemtic Name: 5-ethyl-6-methyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine Openeye Name: 5-ethyl-6-methyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine CAS Name: 5-ethyl-6-methyl-N-[2-(2-methyl-4-pentylphenoxy)ethyl]-4-pyrimidinamine IUPAC Name: 5-ethyl-6-methyl-N-[2-(2-methyl-4-pentylphenoxy)ethyl]pyrimidin-4-amine Traditional Name: 2-(4-amyl-2-methyl-phenoxy)ethyl-(5-ethyl-6-methyl-pyrimidin-4-yl)amine Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2CC)C)C

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2CC)C)C

InChI

InChI=1S/C21H31N3O/c1-5-7-8-9-18-10-11-20(16(3)14-18)25-13-12-22-21-19(6-2)17(4)23-15-24-21/h10-11,14-15H,5-9,12-13H2,1-4H3,(H,22,23,24)