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

Systemtic Name: N-cyclohexyl-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-cyclohexyl-piperazine-1-carboxamide CAS Name: N-cyclohexyl-4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-cyclohexylpiperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C28H38N8O2 MolecularWeight: 518.65372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5CCCO5)N=CN4CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5CCCO5)N=CN4CC6=CC=CC=C6

InChI

InChI=1S/C28H38N8O2/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/h1,3-4,8-9,20,22-23H,2,5-7,10-19H2,(H,31,37)(H,29,32,33)