N4-[3-(4-chloranylphenoxy)propyl]-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[3-(4-chloranylphenoxy)propyl]-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-benzyl-N4-[3-(4-chlorophenoxy)propyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: N4-[3-(4-chlorophenoxy)propyl]-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-4-N-[3-(4-chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine Traditional Name: benzyl-[4-[3-(4-chlorophenoxy)propylamino]-6-methyl-pyrimidin-2-yl]amine Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4O/c1-16-14-20(23-12-5-13-27-19-10-8-18(22)9-11-19)26-21(25-16)24-15-17-6-3-2-4-7-17/h2-4,6-11,14H,5,12-13,15H2,1H3,(H2,23,24,25,26)