4-[(4-bromanylpyrazol-1-yl)methyl]-N-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)benzamide Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C17H16BrN5O3/c1-21-14(7-15(24)22(2)17(21)26)20-16(25)12-5-3-11(4-6-12)9-23-10-13(18)8-19-23/h3-8,10H,9H2,1-2H3,(H,20,25)