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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O/c1-5-16(6-2)12-17-7-8-18(14(3)11-17)25-10-9-22-20-19(21)15(4)23-13-24-20/h7-8,11,13,16H,5-6,9-10,12H2,1-4H3,(H,22,23,24)