4-[9-(5-ethyl-3,4-dimethoxy-oxolan-2-yl)-6-oxidanylidene-purin-1-yl]butyl ethanoate

Systemtic Name: 4-[9-(5-ethyl-3,4-dimethoxy-oxolan-2-yl)-6-oxidanylidene-purin-1-yl]butyl ethanoate Openeye Name: 4-[9-(5-ethyl-3,4-dimethoxy-tetrahydrofuran-2-yl)-6-oxo-purin-1-yl]butyl acetate CAS Name: acetic acid 4-[9-(5-ethyl-3,4-dimethoxy-2-oxolanyl)-6-oxo-1-purinyl]butyl ester IUPAC Name: 4-[9-(5-ethyl-3,4-dimethoxyoxolan-2-yl)-6-oxopurin-1-yl]butyl acetate Traditional Name: acetic acid 4-[9-(5-ethyl-3,4-dimethoxy-tetrahydrofuran-2-yl)-6-keto-purin-1-yl]butyl ester Formula: C19H28N4O6 MolecularWeight: 408.44882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(O1)N2C=NC3=C2N=CN(C3=O)CCCCOC(=O)C)OC)OC

Isomeric SMILES

CCC1C(C(C(O1)N2C=NC3=C2N=CN(C3=O)CCCCOC(=O)C)OC)OC

InChI

InChI=1S/C19H28N4O6/c1-5-13-15(26-3)16(27-4)19(29-13)23-11-20-14-17(23)21-10-22(18(14)25)8-6-7-9-28-12(2)24/h10-11,13,15-16,19H,5-9H2,1-4H3