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

Systemtic Name: N-(4-methoxyphenyl)-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-methoxyphenyl)piperazine-1-carboxamide CAS Name: N-(4-methoxyphenyl)-4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C29H34N8O3 MolecularWeight: 542.63206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5CCCO5)N=CN4CC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5CCCO5)N=CN4CC6=CC=CC=C6

InChI

InChI=1S/C29H34N8O3/c1-39-23-11-9-22(10-12-23)32-29(38)36-15-13-35(14-16-36)28-33-26(30-18-24-8-5-17-40-24)25-27(34-28)37(20-31-25)19-21-6-3-2-4-7-21/h2-4,6-7,9-12,20,24H,5,8,13-19H2,1H3,(H,32,38)(H,30,33,34)