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

Systemtic Name: 5-[3-[4-(4-chlorophenyl)-2-propyl-phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine Openeye Name: 5-[3-[4-(4-chlorophenyl)-2-propyl-phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine CAS Name: 5-[3-[4-(4-chlorophenyl)-2-propylphenoxy]propoxy]-6-methylpyrimidine-2,4-diamine IUPAC Name: 5-[3-[4-(4-chlorophenyl)-2-propylphenoxy]propoxy]-6-methylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-[4-(4-chlorophenyl)-2-propyl-phenoxy]propoxy]-6-methyl-pyrimidin-4-yl]amine Formula: C23H27ClN4O2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC=C(C=C2)Cl)OCCCOC3=C(N=C(N=C3N)N)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC=C(C=C2)Cl)OCCCOC3=C(N=C(N=C3N)N)C

InChI

InChI=1S/C23H27ClN4O2/c1-3-5-18-14-17(16-6-9-19(24)10-7-16)8-11-20(18)29-12-4-13-30-21-15(2)27-23(26)28-22(21)25/h6-11,14H,3-5,12-13H2,1-2H3,(H4,25,26,27,28)