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

Systemtic Name: 5-[3-[4-(4-chlorophenyl)-2-methyl-phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-[4-(4-chlorophenyl)-2-methyl-phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[3-[4-(4-chlorophenyl)-2-methylphenoxy]propoxy]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[3-[4-(4-chlorophenyl)-2-methylphenoxy]propoxy]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-[4-(4-chlorophenyl)-2-methyl-phenoxy]propoxy]-6-methyl-pyrimidin-4-yl]amine Formula: C21H23ClN4O2 MolecularWeight: 398.88592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=C(C=C2)Cl)OCCCOC3=C(N=C(N=C3N)N)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=C(C=C2)Cl)OCCCOC3=C(N=C(N=C3N)N)C

InChI

InChI=1S/C21H23ClN4O2/c1-13-12-16(15-4-7-17(22)8-5-15)6-9-18(13)27-10-3-11-28-19-14(2)25-21(24)26-20(19)23/h4-9,12H,3,10-11H2,1-2H3,(H4,23,24,25,26)