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

Systemtic Name: [3-[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-fluoranyl-oxolan-2-yl]methoxy]-3-oxidanylidene-propyl] 2-azanyl-3-methyl-butanoate Openeye Name: [3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy]-3-oxo-propyl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluoro-2-oxolanyl]methoxy]-3-oxopropyl] ester IUPAC Name: [3-[[5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluorooxolan-2-yl]methoxy]-3-oxopropyl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [3-[[5-(2-amino-6-keto-3H-purin-9-yl)-3-fluoro-tetrahydrofuran-2-yl]methoxy]-3-keto-propyl] ester Formula: C18H25FN6O6 MolecularWeight: 440.426103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)F)N

Isomeric SMILES

CC(C)C(C(=O)OCCC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)F)N

InChI

InChI=1S/C18H25FN6O6/c1-8(2)13(20)17(28)29-4-3-12(26)30-6-10-9(19)5-11(31-10)25-7-22-14-15(25)23-18(21)24-16(14)27/h7-11,13H,3-6,20H2,1-2H3,(H3,21,23,24,27)