3-(4-fluoranylphenoxy)propyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: 3-(4-fluorophenoxy)propyl 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid 3-(4-fluorophenoxy)propyl ester Formula: C18H19FN4O4 MolecularWeight: 374.366263

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCCCOC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN4O4/c1-22-17-15(11-21-22)18(25)23(12-20-17)8-7-16(24)27-10-2-9-26-14-5-3-13(19)4-6-14/h3-6,11-12H,2,7-10H2,1H3