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

Systemtic Name: 6-chloranyl-5-ethyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine Openeye Name: 6-chloro-5-ethyl-N-[2-(2-methyl-4-pentyl-phenoxy)ethyl]pyrimidin-4-amine CAS Name: 6-chloro-5-ethyl-N-[2-(2-methyl-4-pentylphenoxy)ethyl]-4-pyrimidinamine IUPAC Name: 6-chloro-5-ethyl-N-[2-(2-methyl-4-pentylphenoxy)ethyl]pyrimidin-4-amine Traditional Name: 2-(4-amyl-2-methyl-phenoxy)ethyl-(6-chloro-5-ethyl-pyrimidin-4-yl)amine Formula: C20H28ClN3O MolecularWeight: 361.90882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCNC2=C(C(=NC=N2)Cl)CC)C

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCNC2=C(C(=NC=N2)Cl)CC)C

InChI

InChI=1S/C20H28ClN3O/c1-4-6-7-8-16-9-10-18(15(3)13-16)25-12-11-22-20-17(5-2)19(21)23-14-24-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,22,23,24)