[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl octanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl octanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl octanoate CAS Name: octanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl octanoate Traditional Name: caprylic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H27N5O5 MolecularWeight: 393.43748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O

Isomeric SMILES

CCCCCCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O

InChI

InChI=1S/C18H27N5O5/c1-2-3-4-5-6-7-14(25)27-9-12-11(24)8-13(28-12)23-10-20-15-16(23)21-18(19)22-17(15)26/h10-13,24H,2-9H2,1H3,(H3,19,21,22,26)