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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C23H27ClN4O2/c1-14(2)19-13-17(16-5-8-18(24)9-6-16)7-10-20(19)29-11-4-12-30-21-15(3)27-23(26)28-22(21)25/h5-10,13-14H,4,11-12H2,1-3H3,(H4,25,26,27,28)