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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2Cl)C)C

Isomeric SMILES

CCCCC(CC)CC1=CC(=C(C=C1)OCCNC2=NC=NC(=C2Cl)C)C

InChI

InChI=1S/C22H32ClN3O/c1-5-7-8-18(6-2)14-19-9-10-20(16(3)13-19)27-12-11-24-22-21(23)17(4)25-15-26-22/h9-10,13,15,18H,5-8,11-12,14H2,1-4H3,(H,24,25,26)