(2-bromanyl-4-chloranyl-phenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate

Systemtic Name: (2-bromanyl-4-chloranyl-phenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: (2-bromo-4-chloro-phenyl) 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetic acid (2-bromo-4-chlorophenyl) ester IUPAC Name: (2-bromo-4-chlorophenyl) 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid (2-bromo-4-chloro-phenyl) ester Formula: C14H10BrClN4O3 MolecularWeight: 397.6112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C14H10BrClN4O3/c1-19-13-9(5-18-19)14(22)20(7-17-13)6-12(21)23-11-3-2-8(16)4-10(11)15/h2-5,7H,6H2,1H3