5-[[(2-chlorophenyl)amino]methyl]-2-(phenylmethylsulfanyl)pyrimidin-4-amine

Systemtic Name: 5-[[(2-chlorophenyl)amino]methyl]-2-(phenylmethylsulfanyl)pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-5-[(2-chloroanilino)methyl]pyrimidin-4-amine CAS Name: 5-[(2-chloroanilino)methyl]-2-(phenylmethylthio)-4-pyrimidinamine IUPAC Name: 2-benzylsulfanyl-5-[(2-chloroanilino)methyl]pyrimidin-4-amine Traditional Name: [4-amino-2-(benzylthio)pyrimidin-5-yl]methyl-(2-chlorophenyl)amine Formula: C18H17ClN4S MolecularWeight: 356.87238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)N)CNC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)N)CNC3=CC=CC=C3Cl

InChI

InChI=1S/C18H17ClN4S/c19-15-8-4-5-9-16(15)21-10-14-11-22-18(23-17(14)20)24-12-13-6-2-1-3-7-13/h1-9,11,21H,10,12H2,(H2,20,22,23)