4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(phenylmethyl)pyrimidin-2-amine

Systemtic Name: 4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(phenylmethyl)pyrimidin-2-amine Openeye Name: N-benzyl-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine CAS Name: 4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-(phenylmethyl)-2-pyrimidinamine IUPAC Name: N-benzyl-4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine Traditional Name: benzyl-[4-[3-(4-chlorophenyl)anthranil-5-yl]pyrimidin-2-yl]amine Formula: C24H17ClN4O MolecularWeight: 412.87098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=CC(=N2)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=CC(=N2)C3=CC4=C(ON=C4C=C3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H17ClN4O/c25-19-9-6-17(7-10-19)23-20-14-18(8-11-22(20)29-30-23)21-12-13-26-24(28-21)27-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,26,27,28)