2-fluoranylethyl 2-[5-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]pyridin-3-yl]ethanoate

Systemtic Name: 2-fluoranylethyl 2-[5-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]pyridin-3-yl]ethanoate Openeye Name: 2-fluoroethyl 2-[5-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-3-pyridyl]acetate CAS Name: 2-[5-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-3-pyridinyl]acetic acid 2-fluoroethyl ester IUPAC Name: 2-fluoroethyl 2-[5-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]pyridin-3-yl]acetate Traditional Name: 2-[5-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]-3-pyridyl]acetic acid 2-fluoroethyl ester Formula: C20H25FN6O4 MolecularWeight: 432.448703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCC3=CN=CC(=C3)CC(=O)OCCF

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCC3=CN=CC(=C3)CC(=O)OCCF

InChI

InChI=1S/C20H25FN6O4/c1-2-3-7-31-19-25-17(22)16-18(26-19)27(20(29)24-16)6-4-13-9-14(12-23-11-13)10-15(28)30-8-5-21/h9,11-12H,2-8,10H2,1H3,(H,24,29)(H2,22,25,26)