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

Systemtic Name: N-(4-methylphenyl)-4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazine-1-carboxamide Openeye Name: 4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]-N-(p-tolyl)piperazine-1-carboxamide CAS Name: N-(4-methylphenyl)-4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-methylphenyl)-4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazine-1-carboxamide Traditional Name: 4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]-N-(p-tolyl)piperazine-1-carboxamide Formula: C30H36N8O2 MolecularWeight: 540.65924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N8O2/c1-21-8-10-24(11-9-21)33-30(39)37-14-12-36(13-15-37)29-34-27(31-18-25-7-4-16-40-25)26-28(35-29)38(20-32-26)19-23-6-3-5-22(2)17-23/h3,5-6,8-11,17,20,25H,4,7,12-16,18-19H2,1-2H3,(H,33,39)(H,31,34,35)