1-[5-bromanyl-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]azepane

Systemtic Name: 1-[5-bromanyl-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]azepane Openeye Name: 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]azepane CAS Name: 1-[5-bromo-2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]azepane IUPAC Name: 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]azepane Traditional Name: 1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]azepane Formula: C16H22BrN5 MolecularWeight: 364.28338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=C(C(=N2)N3CCCCCC3)Br)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=C(C(=N2)N3CCCCCC3)Br)C)C

InChI

InChI=1S/C16H22BrN5/c1-11-10-12(2)22(20-11)16-18-13(3)14(17)15(19-16)21-8-6-4-5-7-9-21/h10H,4-9H2,1-3H3