6-bromanyl-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 6-bromo-3-[2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 6-bromo-3-[2-[2,5-dimethyl-1-[[(2S)-2-oxolanyl]methyl]-3-pyrrolyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 6-bromo-3-[2-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-keto-ethyl]quinazolin-4-one Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(N1C[C@@H]2CCCO2)C)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O3/c1-13-8-17(14(2)25(13)10-16-4-3-7-28-16)20(26)11-24-12-23-19-6-5-15(22)9-18(19)21(24)27/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3/t16-/m0/s1