2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-butanoyl]amino]pentanedioic acid CAS Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-(methylthio)-1-oxobutyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(2,4-diketo-1H-quinazolin-3-yl)-4-(methylthio)butanoyl]amino]glutaric acid Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2NC1=O

Isomeric SMILES

CSCCC(C(=O)NC(CCC(=O)O)C(=O)O)N1C(=O)C2=CC=CC=C2NC1=O

InChI

InChI=1S/C18H21N3O7S/c1-29-9-8-13(15(24)19-12(17(26)27)6-7-14(22)23)21-16(25)10-4-2-3-5-11(10)20-18(21)28/h2-5,12-13H,6-9H2,1H3,(H,19,24)(H,20,28)(H,22,23)(H,26,27)