[5-(6-aminopurin-9-yl)-4-butanoyloxy-2-(hydroxymethyl)oxolan-3-yl] butanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-butanoyloxy-2-(hydroxymethyl)oxolan-3-yl] butanoate Openeye Name: [5-(6-aminopurin-9-yl)-4-butanoyloxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] butanoate CAS Name: butanoic acid [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(1-oxobutoxy)-3-oxolanyl] ester IUPAC Name: [5-(6-aminopurin-9-yl)-4-butanoyloxy-2-(hydroxymethyl)oxolan-3-yl] butanoate Traditional Name: butyric acid (5-adenin-9-yl-4-butyryloxy-2-methylol-tetrahydrofuran-3-yl) ester Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(OC(C1OC(=O)CCC)N2C=NC3=C2N=CN=C3N)CO

Isomeric SMILES

CCCC(=O)OC1C(OC(C1OC(=O)CCC)N2C=NC3=C2N=CN=C3N)CO

InChI

InChI=1S/C18H25N5O6/c1-3-5-11(25)28-14-10(7-24)27-18(15(14)29-12(26)6-4-2)23-9-22-13-16(19)20-8-21-17(13)23/h8-10,14-15,18,24H,3-7H2,1-2H3,(H2,19,20,21)