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

Systemtic Name: 5,6-dimethyl-N-[2-(2-methyl-4-octyl-phenoxy)ethyl]pyrimidin-4-amine hydrochloride Openeye Name: 5,6-dimethyl-N-[2-(2-methyl-4-octyl-phenoxy)ethyl]pyrimidin-4-amine hydrochloride CAS Name: 5,6-dimethyl-N-[2-(2-methyl-4-octylphenoxy)ethyl]-4-pyrimidinamine hydrochloride IUPAC Name: 5,6-dimethyl-N-[2-(2-methyl-4-octylphenoxy)ethyl]pyrimidin-4-amine hydrochloride Traditional Name: (5,6-dimethylpyrimidin-4-yl)-[2-(2-methyl-4-octyl-phenoxy)ethyl]amine hydrochloride Formula: C23H36ClN3O MolecularWeight: 406.00444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2C)C)C.Cl

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2C)C)C.Cl

InChI

InChI=1S/C23H35N3O.ClH/c1-5-6-7-8-9-10-11-21-12-13-22(18(2)16-21)27-15-14-24-23-19(3)20(4)25-17-26-23;/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,24,25,26);1H