5-[3-[4-(4-chlorophenyl)-2-ethyl-phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: 5-[3-[4-(4-chlorophenyl)-2-ethyl-phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-[4-(4-chlorophenyl)-2-ethyl-phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[3-[4-(4-chlorophenyl)-2-ethylphenoxy]propoxy]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[3-[4-(4-chlorophenyl)-2-ethylphenoxy]propoxy]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-[4-(4-chlorophenyl)-2-ethyl-phenoxy]propoxy]-6-methyl-pyrimidin-4-yl]amine Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC=C(C=C2)Cl)OCCCOC3=C(N=C(N=C3N)N)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC=C(C=C2)Cl)OCCCOC3=C(N=C(N=C3N)N)C

InChI

InChI=1S/C22H25ClN4O2/c1-3-15-13-17(16-5-8-18(23)9-6-16)7-10-19(15)28-11-4-12-29-20-14(2)26-22(25)27-21(20)24/h5-10,13H,3-4,11-12H2,1-2H3,(H4,24,25,26,27)