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

Systemtic Name: 2-[[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-butanoyl]amino]butanedioic acid CAS Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-(methylthio)-1-oxobutyl]amino]butanedioic acid IUPAC Name: 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]butanedioic acid Traditional Name: 2-[[2-(2,4-diketo-1H-quinazolin-3-yl)-4-(methylthio)butanoyl]amino]succinic acid Formula: C17H19N3O7S MolecularWeight: 409.41366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O7S/c1-28-7-6-12(14(23)18-11(16(25)26)8-13(21)22)20-15(24)9-4-2-3-5-10(9)19-17(20)27/h2-5,11-12H,6-8H2,1H3,(H,18,23)(H,19,27)(H,21,22)(H,25,26)