6,8-bis(bromanyl)-2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[[(3S,5S)-3,5-dimethylpiperidino]methyl]-1H-quinazolin-4-one Formula: C16H19Br2N3O MolecularWeight: 429.14956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C

InChI

InChI=1S/C16H19Br2N3O/c1-9-3-10(2)7-21(6-9)8-14-19-15-12(16(22)20-14)4-11(17)5-13(15)18/h4-5,9-10H,3,6-8H2,1-2H3,(H,19,20,22)/t9-,10-/m0/s1