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

Systemtic Name: 4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Formula: C28H32N8O2 MolecularWeight: 512.60608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C28H32N8O2/c37-28(31-22-10-5-2-6-11-22)35-15-13-34(14-16-35)27-32-25(29-18-23-12-7-17-38-23)24-26(33-27)36(20-30-24)19-21-8-3-1-4-9-21/h1-6,8-11,20,23H,7,12-19H2,(H,31,37)(H,29,32,33)