N-(3-methylphenyl)-4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-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-(m-tolyl)piperazine-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: 4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]-N-(m-tolyl)piperazine-1-carboxamide Formula: C29H34N8O2 MolecularWeight: 526.63266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5CCCO5)N=CN4CC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5CCCO5)N=CN4CC6=CC=CC=C6

InChI

InChI=1S/C29H34N8O2/c1-21-7-5-10-23(17-21)32-29(38)36-14-12-35(13-15-36)28-33-26(30-18-24-11-6-16-39-24)25-27(34-28)37(20-31-25)19-22-8-3-2-4-9-22/h2-5,7-10,17,20,24H,6,11-16,18-19H2,1H3,(H,32,38)(H,30,33,34)