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

Systemtic Name: (2S)-N-cyclopentyl-2-[2-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-cyclopentyl-2-[[2-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)acetyl]amino]-4-methylsulfanyl-butanamide CAS Name: (2S)-N-cyclopentyl-2-[[2-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-4-(methylthio)butanamide IUPAC Name: (2S)-N-cyclopentyl-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-4-methylsulfanylbutanamide Traditional Name: (2S)-N-cyclopentyl-2-[[2-(4-keto-6,7-dimethoxy-quinazolin-3-yl)acetyl]amino]-4-(methylthio)butyramide Formula: C22H30N4O5S MolecularWeight: 462.5624

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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)NC3CCCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)N[C@@H](CCSC)C(=O)NC3CCCC3)OC

InChI

InChI=1S/C22H30N4O5S/c1-30-18-10-15-17(11-19(18)31-2)23-13-26(22(15)29)12-20(27)25-16(8-9-32-3)21(28)24-14-6-4-5-7-14/h10-11,13-14,16H,4-9,12H2,1-3H3,(H,24,28)(H,25,27)/t16-/m0/s1