5-[(6-piperidin-1-ylpurin-9-yl)methyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-[(6-piperidin-1-ylpurin-9-yl)methyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 5-[[6-(1-piperidyl)purin-9-yl]methyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole CAS Name: 5-[[6-(1-piperidinyl)-9-purinyl]methyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole IUPAC Name: 5-[(6-piperidin-1-ylpurin-9-yl)methyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-mesityl-5-[(6-piperidinopurin-9-yl)methyl]-2-isoxazoline Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(C2)CN3C=NC4=C3N=CN=C4N5CCCCC5)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NOC(C2)CN3C=NC4=C3N=CN=C4N5CCCCC5)C

InChI

InChI=1S/C23H28N6O/c1-15-9-16(2)20(17(3)10-15)19-11-18(30-27-19)12-29-14-26-21-22(24-13-25-23(21)29)28-7-5-4-6-8-28/h9-10,13-14,18H,4-8,11-12H2,1-3H3