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

Systemtic Name: 6-chloranyl-5-methyl-N-[2-(2-methyl-4-octyl-phenoxy)ethyl]pyrimidin-4-amine Openeye Name: 6-chloro-5-methyl-N-[2-(2-methyl-4-octyl-phenoxy)ethyl]pyrimidin-4-amine CAS Name: 6-chloro-5-methyl-N-[2-(2-methyl-4-octylphenoxy)ethyl]-4-pyrimidinamine IUPAC Name: 6-chloro-5-methyl-N-[2-(2-methyl-4-octylphenoxy)ethyl]pyrimidin-4-amine Traditional Name: (6-chloro-5-methyl-pyrimidin-4-yl)-[2-(2-methyl-4-octyl-phenoxy)ethyl]amine Formula: C22H32ClN3O MolecularWeight: 389.96198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OCCNC2=C(C(=NC=N2)Cl)C)C

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OCCNC2=C(C(=NC=N2)Cl)C)C

InChI

InChI=1S/C22H32ClN3O/c1-4-5-6-7-8-9-10-19-11-12-20(17(2)15-19)27-14-13-24-22-18(3)21(23)25-16-26-22/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,24,25,26)