[9-(oxan-2-yl)purin-6-yl]methyl benzoate

Systemtic Name: [9-(oxan-2-yl)purin-6-yl]methyl benzoate Openeye Name: (9-tetrahydropyran-2-ylpurin-6-yl)methyl benzoate CAS Name: benzoic acid [9-(2-oxanyl)-6-purinyl]methyl ester IUPAC Name: [9-(oxan-2-yl)purin-6-yl]methyl benzoate Traditional Name: benzoic acid (9-tetrahydropyran-2-ylpurin-6-yl)methyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C(N=CN=C32)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C(N=CN=C32)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O3/c23-18(13-6-2-1-3-7-13)25-10-14-16-17(20-11-19-14)22(12-21-16)15-8-4-5-9-24-15/h1-3,6-7,11-12,15H,4-5,8-10H2