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

Systemtic Name: 1-[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(2,4-diketo-1H-quinazolin-3-yl)-4-(methylthio)butanoyl]proline Formula: C18H21N3O5S MolecularWeight: 391.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CSCCC(C(=O)N1CCCC1C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C18H21N3O5S/c1-27-10-8-13(16(23)20-9-4-7-14(20)17(24)25)21-15(22)11-5-2-3-6-12(11)19-18(21)26/h2-3,5-6,13-14H,4,7-10H2,1H3,(H,19,26)(H,24,25)