2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]quinazolin-4-olate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H17N3O2S/c1-12(13-7-3-2-4-8-13)19-16(22)11-24-18-20-15-10-6-5-9-14(15)17(23)21-18/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21,23)/p-1/t12-/m1/s1