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

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-butanoyloxy-oxolan-2-yl]methyl butanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-butanoyloxy-tetrahydrofuran-2-yl]methyl butanoate CAS Name: butanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3-(1-oxobutoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-butanoyloxyoxolan-2-yl]methyl butanoate Traditional Name: butyric acid [5-(2-amino-6-keto-3H-purin-9-yl)-3-butyryloxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)CCC

InChI

InChI=1S/C18H25N5O6/c1-3-5-13(24)27-8-11-10(29-14(25)6-4-2)7-12(28-11)23-9-20-15-16(23)21-18(19)22-17(15)26/h9-12H,3-8H2,1-2H3,(H3,19,21,22,26)