[4-(6-methylpurin-9-yl)-2-(oxan-2-yloxymethyl)cyclopentyl]methyl benzoate

Systemtic Name: [4-(6-methylpurin-9-yl)-2-(oxan-2-yloxymethyl)cyclopentyl]methyl benzoate Openeye Name: [4-(6-methylpurin-9-yl)-2-(tetrahydropyran-2-yloxymethyl)cyclopentyl]methyl benzoate CAS Name: benzoic acid [4-(6-methyl-9-purinyl)-2-(2-oxanyloxymethyl)cyclopentyl]methyl ester IUPAC Name: [4-(6-methylpurin-9-yl)-2-(oxan-2-yloxymethyl)cyclopentyl]methyl benzoate Traditional Name: benzoic acid [4-(6-methylpurin-9-yl)-2-(tetrahydropyran-2-yloxymethyl)cyclopentyl]methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=N1)N(C=N2)C3CC(C(C3)COC(=O)C4=CC=CC=C4)COC5CCCCO5

Isomeric SMILES

CC1=C2C(=NC=N1)N(C=N2)C3CC(C(C3)COC(=O)C4=CC=CC=C4)COC5CCCCO5

InChI

InChI=1S/C25H30N4O4/c1-17-23-24(27-15-26-17)29(16-28-23)21-11-19(13-32-22-9-5-6-10-31-22)20(12-21)14-33-25(30)18-7-3-2-4-8-18/h2-4,7-8,15-16,19-22H,5-6,9-14H2,1H3