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

Systemtic Name: N-ethyl-4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazine-1-carboxamide Openeye Name: N-ethyl-4-[9-(m-tolylmethyl)-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazine-1-carboxamide CAS Name: N-ethyl-4-[9-[(3-methylphenyl)methyl]-6-(2-oxolanylmethylamino)-2-purinyl]-1-piperazinecarboxamide IUPAC Name: N-ethyl-4-[9-[(3-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazine-1-carboxamide Traditional Name: N-ethyl-4-[9-(3-methylbenzyl)-6-(tetrahydrofurfurylamino)purin-2-yl]piperazine-1-carboxamide Formula: C25H34N8O2 MolecularWeight: 478.58986

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4CCCO4)N=CN3CC5=CC=CC(=C5)C

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4CCCO4)N=CN3CC5=CC=CC(=C5)C

InChI

InChI=1S/C25H34N8O2/c1-3-26-25(34)32-11-9-31(10-12-32)24-29-22(27-15-20-8-5-13-35-20)21-23(30-24)33(17-28-21)16-19-7-4-6-18(2)14-19/h4,6-7,14,17,20H,3,5,8-13,15-16H2,1-2H3,(H,26,34)(H,27,29,30)