methyl 3-[6-azanyl-2-(4-fluoranylbutoxy)-8-oxidanylidene-7H-purin-9-yl]-3-phenyl-propanoate

Systemtic Name: methyl 3-[6-azanyl-2-(4-fluoranylbutoxy)-8-oxidanylidene-7H-purin-9-yl]-3-phenyl-propanoate Openeye Name: methyl 3-[6-amino-2-(4-fluorobutoxy)-8-oxo-7H-purin-9-yl]-3-phenyl-propanoate CAS Name: 3-[6-amino-2-(4-fluorobutoxy)-8-oxo-7H-purin-9-yl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[6-amino-2-(4-fluorobutoxy)-8-oxo-7H-purin-9-yl]-3-phenylpropanoate Traditional Name: 3-[6-amino-2-(4-fluorobutoxy)-8-keto-7H-purin-9-yl]-3-phenyl-propionic acid methyl ester Formula: C19H22FN5O4 MolecularWeight: 403.407483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)N2C3=C(C(=NC(=N3)OCCCCF)N)NC2=O

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)N2C3=C(C(=NC(=N3)OCCCCF)N)NC2=O

InChI

InChI=1S/C19H22FN5O4/c1-28-14(26)11-13(12-7-3-2-4-8-12)25-17-15(22-19(25)27)16(21)23-18(24-17)29-10-6-5-9-20/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,22,27)(H2,21,23,24)