2-iodanyl-N-[2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide

Systemtic Name: 2-iodanyl-N-[2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide Openeye Name: 2-iodo-N-[2-(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide CAS Name: 2-iodo-N-[2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]benzamide IUPAC Name: 2-iodo-N-[2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]benzamide Traditional Name: 2-iodo-N-[2-(6-isopropyl-4-keto-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide Formula: C21H18IN5O2S MolecularWeight: 531.36939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC=CC=C4I

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C21H18IN5O2S/c1-12(2)15-11-19(28)25-21(23-15)27-18(10-16(26-27)17-8-5-9-30-17)24-20(29)13-6-3-4-7-14(13)22/h3-12H,1-2H3,(H,24,29)(H,23,25,28)