5-[1-(4-chloranyl-2-cyclohexyl-phenoxy)propoxy]-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[1-(4-chloranyl-2-cyclohexyl-phenoxy)propoxy]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[1-(4-chloro-2-cyclohexyl-phenoxy)propoxy]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[1-(4-chloro-2-cyclohexylphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[1-(4-chloro-2-cyclohexylphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[1-(4-chloro-2-cyclohexyl-phenoxy)propoxy]-6-methyl-pyrimidin-4-yl]amine Formula: C20H27ClN4O2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=C(C=C(C=C1)Cl)C2CCCCC2)OC3=C(N=C(N=C3N)N)C

Isomeric SMILES

CCC(OC1=C(C=C(C=C1)Cl)C2CCCCC2)OC3=C(N=C(N=C3N)N)C

InChI

InChI=1S/C20H27ClN4O2/c1-3-17(27-18-12(2)24-20(23)25-19(18)22)26-16-10-9-14(21)11-15(16)13-7-5-4-6-8-13/h9-11,13,17H,3-8H2,1-2H3,(H4,22,23,24,25)