4-[[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylthio]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methylthio]acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)NCC3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)NCC3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C21H27N3O6S/c1-29-16-7-14-15(8-17(16)30-2)23-18(24-20(14)26)10-31-11-19(25)22-9-12-3-5-13(6-4-12)21(27)28/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,22,25)(H,27,28)(H,23,24,26)