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

Systemtic Name: 4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]-N-phenyl-piperazine-1-carboxamide Formula: C29H34N8O2 MolecularWeight: 526.63266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)C(=O)NC6=CC=CC=C6

InChI

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