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

Systemtic Name: [4-(4-iodophenyl)phenyl] 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: [4-(4-iodophenyl)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 [4-(4-iodophenyl)phenyl] ester IUPAC Name: [4-(4-iodophenyl)phenyl] 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 [4-(4-iodophenyl)phenyl] ester Formula: C20H15IN4O3 MolecularWeight: 486.26257

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)I

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)I

InChI

InChI=1S/C20H15IN4O3/c1-24-19-17(10-23-24)20(27)25(12-22-19)11-18(26)28-16-8-4-14(5-9-16)13-2-6-15(21)7-3-13/h2-10,12H,11H2,1H3