[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-aminopurin-9-yl)-3-hydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-aminopurin-9-yl)-3-hydroxy-2-(hydroxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid (5-adenin-9-yl-3-hydroxy-2-methylol-tetrahydrofuran-2-yl)methyl ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)(CO)COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)(CO)COC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C18H19N5O5/c19-15-14-16(21-9-20-15)23(10-22-14)13-6-12(25)18(7-24,28-13)8-27-17(26)11-4-2-1-3-5-11/h1-5,9-10,12-13,24-25H,6-8H2,(H2,19,20,21)