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

Systemtic Name: (2S)-2-[2-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4-methylsulfanyl-N-(pyridin-4-ylmethyl)butanamide Openeye Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)acetyl]amino]-4-methylsulfanyl-N-(4-pyridylmethyl)butanamide CAS Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-4-(methylthio)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-4-methylsulfanyl-N-(pyridin-4-ylmethyl)butanamide Traditional Name: (2S)-2-[[2-(4-keto-6,7-dimethoxy-quinazolin-3-yl)acetyl]amino]-4-(methylthio)-N-(4-pyridylmethyl)butyramide Formula: C23H27N5O5S MolecularWeight: 485.55598

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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)NCC3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)N[C@@H](CCSC)C(=O)NCC3=CC=NC=C3)OC

InChI

InChI=1S/C23H27N5O5S/c1-32-19-10-16-18(11-20(19)33-2)26-14-28(23(16)31)13-21(29)27-17(6-9-34-3)22(30)25-12-15-4-7-24-8-5-15/h4-5,7-8,10-11,14,17H,6,9,12-13H2,1-3H3,(H,25,30)(H,27,29)/t17-/m0/s1