5-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(4-iodophenyl)-2-oxo-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(4-iodophenyl)-2-oxoethyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(4-iodophenyl)-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(4-iodophenyl)-2-keto-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H11IN4O2 MolecularWeight: 394.16721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11IN4O2/c1-18-13-11(6-17-18)14(21)19(8-16-13)7-12(20)9-2-4-10(15)5-3-9/h2-6,8H,7H2,1H3