2-[(2S)-1-(1,4-oxazepan-4-yl)-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[(2S)-1-(1,4-oxazepan-4-yl)-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate Openeye Name: 2-[(1S)-1-methyl-2-(1,4-oxazepan-4-yl)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(2S)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]thio]-4-quinazolinolate IUPAC Name: 2-[(2S)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(1,4-oxazepan-4-yl)ethyl]thio]quinazolin-4-olate Formula: C16H18N3O3S- MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCOCC1)SC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCCOCC1)SC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-11(15(21)19-7-4-9-22-10-8-19)23-16-17-13-6-3-2-5-12(13)14(20)18-16/h2-3,5-6,11H,4,7-10H2,1H3,(H,17,18,20)/p-1/t11-/m0/s1