N-(4-nitrophenyl)-4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-nitrophenyl)-4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: N-(4-nitrophenyl)-4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C28H31N9O4 MolecularWeight: 557.60364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)NC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)NC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H31N9O4/c38-28(31-21-8-10-22(11-9-21)37(39)40)35-14-12-34(13-15-35)27-32-25(29-17-23-7-4-16-41-23)24-26(33-27)36(19-30-24)18-20-5-2-1-3-6-20/h1-3,5-6,8-11,19,23H,4,7,12-18H2,(H,31,38)(H,29,32,33)