5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOCCC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCCOCCC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(14-16)19-18(25-21(24)26-20(19)23)10-13-27-11-5-12-28-17-8-2-1-3-9-17/h1-4,6-9,14H,5,10-13H2,(H4,23,24,25,26)