2-(3-chloranylphenoxy)ethyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: 2-(3-chloranylphenoxy)ethyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: 2-(3-chlorophenoxy)ethyl 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 2-(3-chlorophenoxy)ethyl ester IUPAC Name: 2-(3-chlorophenoxy)ethyl 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 2-(3-chlorophenoxy)ethyl ester Formula: C17H17ClN4O4 MolecularWeight: 376.79428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCCOC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCCOC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H17ClN4O4/c1-21-16-14(10-20-21)17(24)22(11-19-16)6-5-15(23)26-8-7-25-13-4-2-3-12(18)9-13/h2-4,9-11H,5-8H2,1H3