9-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]purin-6-amine

Systemtic Name: 9-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]purin-6-amine Openeye Name: 9-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]-4-piperidyl]purin-6-amine CAS Name: 9-[1-[[4-(3-phenyl-2-quinoxalinyl)phenyl]methyl]-4-piperidinyl]-6-purinamine IUPAC Name: 9-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]purin-6-amine Traditional Name: [9-[1-[4-(3-phenylquinoxalin-2-yl)benzyl]-4-piperidyl]purin-6-yl]amine Formula: C31H28N8 MolecularWeight: 512.60762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5C7=CC=CC=C7

Isomeric SMILES

C1CN(CCC1N2C=NC3=C2N=CN=C3N)CC4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5C7=CC=CC=C7

InChI

InChI=1S/C31H28N8/c32-30-29-31(34-19-33-30)39(20-35-29)24-14-16-38(17-15-24)18-21-10-12-23(13-11-21)28-27(22-6-2-1-3-7-22)36-25-8-4-5-9-26(25)37-28/h1-13,19-20,24H,14-18H2,(H2,32,33,34)