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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=CC=C4I)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=CC=C4I)C

InChI

InChI=1S/C21H18IN5O3/c1-3-13-12(2)23-21(25-19(13)28)27-18(11-16(26-27)17-9-6-10-30-17)24-20(29)14-7-4-5-8-15(14)22/h4-11H,3H2,1-2H3,(H,24,29)(H,23,25,28)