4-(1H-indol-3-yl)-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine

Systemtic Name: 4-(1H-indol-3-yl)-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]pyrimidin-2-amine Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine CAS Name: 4-(1H-indol-3-yl)-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-2-pyrimidinamine IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine Traditional Name: [4-(4-benzylpiperazino)phenyl]-[4-(1H-indol-3-yl)pyrimidin-2-yl]amine Formula: C29H28N6 MolecularWeight: 460.57282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H28N6/c1-2-6-22(7-3-1)21-34-16-18-35(19-17-34)24-12-10-23(11-13-24)32-29-30-15-14-28(33-29)26-20-31-27-9-5-4-8-25(26)27/h1-15,20,31H,16-19,21H2,(H,30,32,33)