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

Systemtic Name: (2S)-2-[2-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-N-(furan-2-ylmethyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)acetyl]amino]-N-(2-furylmethyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-N-(2-furanylmethyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(2-furfuryl)-2-[[2-(4-keto-6,7-dimethoxy-quinazolin-3-yl)acetyl]amino]-4-(methylthio)butyramide Formula: C22H26N4O6S MolecularWeight: 474.53004

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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=CO3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)N[C@@H](CCSC)C(=O)NCC3=CC=CO3)OC

InChI

InChI=1S/C22H26N4O6S/c1-30-18-9-15-17(10-19(18)31-2)24-13-26(22(15)29)12-20(27)25-16(6-8-33-3)21(28)23-11-14-5-4-7-32-14/h4-5,7,9-10,13,16H,6,8,11-12H2,1-3H3,(H,23,28)(H,25,27)/t16-/m0/s1