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

Systemtic Name: N-[5-(furan-2-yl)-2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-iodanyl-benzamide Openeye Name: N-[5-(2-furyl)-2-(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-iodo-benzamide CAS Name: N-[5-(2-furanyl)-2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-iodobenzamide IUPAC Name: N-[5-(furan-2-yl)-2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-iodobenzamide Traditional Name: N-[5-(2-furyl)-2-(6-isopropyl-4-keto-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-iodo-benzamide Formula: C21H18IN5O3 MolecularWeight: 515.30379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=CC=C4I

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C21H18IN5O3/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)