(2S)-2-[2-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-N-(2-hydroxyphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[2-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-N-(2-hydroxyphenyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)acetyl]amino]-N-(2-hydroxyphenyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-N-(2-hydroxyphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(2-hydroxyphenyl)-2-[[2-(4-keto-6,7-dimethoxy-quinazolin-3-yl)acetyl]amino]-4-(methylthio)butyramide Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)NC(CCSC)C(=O)NC3=CC=CC=C3O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)N[C@@H](CCSC)C(=O)NC3=CC=CC=C3O)OC

InChI

InChI=1S/C23H26N4O6S/c1-32-19-10-14-17(11-20(19)33-2)24-13-27(23(14)31)12-21(29)25-16(8-9-34-3)22(30)26-15-6-4-5-7-18(15)28/h4-7,10-11,13,16,28H,8-9,12H2,1-3H3,(H,25,29)(H,26,30)/t16-/m0/s1