N4-[(3-chloranyl-4-methyl-phenyl)methyl]-N2-phenethyl-pyrimidine-2,4-diamine

Systemtic Name: N4-[(3-chloranyl-4-methyl-phenyl)methyl]-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: N4-[(3-chloro-4-methyl-phenyl)methyl]-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: N4-[(3-chloro-4-methylphenyl)methyl]-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 4-N-[(3-chloro-4-methylphenyl)methyl]-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: (3-chloro-4-methyl-benzyl)-[2-(phenethylamino)pyrimidin-4-yl]amine Formula: C20H21ClN4 MolecularWeight: 352.86054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NC(=NC=C2)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NC(=NC=C2)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4/c1-15-7-8-17(13-18(15)21)14-24-19-10-12-23-20(25-19)22-11-9-16-5-3-2-4-6-16/h2-8,10,12-13H,9,11,14H2,1H3,(H2,22,23,24,25)