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

Systemtic Name: 5-[(6-pyrrolidin-1-ylpurin-9-yl)methyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 5-[(6-pyrrolidin-1-ylpurin-9-yl)methyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole CAS Name: 5-[[6-(1-pyrrolidinyl)-9-purinyl]methyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole IUPAC Name: 5-[(6-pyrrolidin-1-ylpurin-9-yl)methyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-mesityl-5-[(6-pyrrolidinopurin-9-yl)methyl]-2-isoxazoline Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(C2)CN3C=NC4=C3N=CN=C4N5CCCC5)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NOC(C2)CN3C=NC4=C3N=CN=C4N5CCCC5)C

InChI

InChI=1S/C22H26N6O/c1-14-8-15(2)19(16(3)9-14)18-10-17(29-26-18)11-28-13-25-20-21(23-12-24-22(20)28)27-6-4-5-7-27/h8-9,12-13,17H,4-7,10-11H2,1-3H3