5-[3-(4-chloranyl-2-cyclohexyl-phenoxy)propoxy]-6-methyl-pyrimidine-2,4-diamine hydrochloride

Systemtic Name: 5-[3-(4-chloranyl-2-cyclohexyl-phenoxy)propoxy]-6-methyl-pyrimidine-2,4-diamine hydrochloride Openeye Name: 5-[3-(4-chloro-2-cyclohexyl-phenoxy)propoxy]-6-methyl-pyrimidine-2,4-diamine hydrochloride CAS Name: 5-[3-(4-chloro-2-cyclohexylphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine hydrochloride IUPAC Name: 5-[3-(4-chloro-2-cyclohexylphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine hydrochloride Traditional Name: [2-amino-5-[3-(4-chloro-2-cyclohexyl-phenoxy)propoxy]-6-methyl-pyrimidin-4-yl]amine hydrochloride Formula: C20H28Cl2N4O2 MolecularWeight: 427.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)Cl)C3CCCCC3.Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)Cl)C3CCCCC3.Cl

InChI

InChI=1S/C20H27ClN4O2.ClH/c1-13-18(19(22)25-20(23)24-13)27-11-5-10-26-17-9-8-15(21)12-16(17)14-6-3-2-4-7-14;/h8-9,12,14H,2-7,10-11H2,1H3,(H4,22,23,24,25);1H