3-bromanyl-N-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide

Systemtic Name: 3-bromanyl-N-[5-methyl-2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide Openeye Name: 3-bromo-N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide CAS Name: 3-bromo-N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-3-pyrazolyl]benzamide IUPAC Name: 3-bromo-N-[5-methyl-2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide Traditional Name: 3-bromo-N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C18H18BrN5O2 MolecularWeight: 416.27182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN5O2/c1-3-5-14-10-16(25)22-18(20-14)24-15(8-11(2)23-24)21-17(26)12-6-4-7-13(19)9-12/h4,6-10H,3,5H2,1-2H3,(H,21,26)(H,20,22,25)