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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OC(=O)CCC

InChI

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