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

Systemtic Name: N-(4-chlorophenyl)-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-chlorophenyl)piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-(4-chlorophenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]-N-(4-chlorophenyl)piperazine-1-carboxamide Formula: C28H31ClN8O2 MolecularWeight: 547.05114

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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=C(C=C6)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H31ClN8O2/c29-21-8-10-22(11-9-21)32-28(38)36-14-12-35(13-15-36)27-33-25(30-17-23-7-4-16-39-23)24-26(34-27)37(19-31-24)18-20-5-2-1-3-6-20/h1-3,5-6,8-11,19,23H,4,7,12-18H2,(H,32,38)(H,30,33,34)