2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)pyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(5-bromo-2-hydroxybenzoyl)pyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(5-bromo-2-hydroxy-benzoyl)pyrazol-1-yl]-6-methyl-1H-pyrimidin-4-one Formula: C15H11BrN4O3 MolecularWeight: 375.17684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C15H11BrN4O3/c1-8-4-13(22)19-15(18-8)20-7-9(6-17-20)14(23)11-5-10(16)2-3-12(11)21/h2-7,21H,1H3,(H,18,19,22)