5-[[(2-chloranyl-6-methyl-phenyl)amino]methyl]-6-(2-ethylphenyl)-2-methylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-[[(2-chloranyl-6-methyl-phenyl)amino]methyl]-6-(2-ethylphenyl)-2-methylsulfanyl-pyrimidin-4-amine Openeye Name: 5-[(2-chloro-6-methyl-anilino)methyl]-6-(2-ethylphenyl)-2-methylsulfanyl-pyrimidin-4-amine CAS Name: 5-[(2-chloro-6-methylanilino)methyl]-6-(2-ethylphenyl)-2-(methylthio)-4-pyrimidinamine IUPAC Name: 5-[(2-chloro-6-methylanilino)methyl]-6-(2-ethylphenyl)-2-methylsulfanylpyrimidin-4-amine Traditional Name: [4-amino-6-(2-ethylphenyl)-2-(methylthio)pyrimidin-5-yl]methyl-(2-chloro-6-methyl-phenyl)amine Formula: C21H23ClN4S MolecularWeight: 398.95212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(C(=NC(=N2)SC)N)CNC3=C(C=CC=C3Cl)C

Isomeric SMILES

CCC1=CC=CC=C1C2=C(C(=NC(=N2)SC)N)CNC3=C(C=CC=C3Cl)C

InChI

InChI=1S/C21H23ClN4S/c1-4-14-9-5-6-10-15(14)19-16(20(23)26-21(25-19)27-3)12-24-18-13(2)8-7-11-17(18)22/h5-11,24H,4,12H2,1-3H3,(H2,23,25,26)