N-(3-iodanylphenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(3-iodanylphenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(3-iodophenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(3-iodophenyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(3-iodophenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(3-iodophenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C15H14IN5O2 MolecularWeight: 423.20843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C15H14IN5O2/c1-20-14-12(8-18-20)15(23)21(9-17-14)6-5-13(22)19-11-4-2-3-10(16)7-11/h2-4,7-9H,5-6H2,1H3,(H,19,22)