[4-(6-aminopurin-9-yl)-1,3-oxathiolan-2-yl]methyl benzoate

Systemtic Name: [4-(6-aminopurin-9-yl)-1,3-oxathiolan-2-yl]methyl benzoate Openeye Name: [4-(6-aminopurin-9-yl)-1,3-oxathiolan-2-yl]methyl benzoate CAS Name: benzoic acid [4-(6-aminopurin-9-yl)-1,3-oxathiolan-2-yl]methyl ester IUPAC Name: [4-(6-aminopurin-9-yl)-1,3-oxathiolan-2-yl]methyl benzoate Traditional Name: benzoic acid (4-adenin-9-yl-1,3-oxathiolan-2-yl)methyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1C(SC(O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C16H15N5O3S/c17-14-13-15(19-8-18-14)21(9-20-13)11-6-23-12(25-11)7-24-16(22)10-4-2-1-3-5-10/h1-5,8-9,11-12H,6-7H2,(H2,17,18,19)