3-[4-butyl-5-methyl-6-oxidanyl-2,7-bis(oxidanylidene)-3H-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[4-butyl-5-methyl-6-oxidanyl-2,7-bis(oxidanylidene)-3H-quinazolin-1-yl]propanoic acid Openeye Name: 3-(4-butyl-6-hydroxy-5-methyl-2,7-dioxo-3H-quinazolin-1-yl)propanoic acid CAS Name: 3-(4-butyl-6-hydroxy-5-methyl-2,7-dioxo-3H-quinazolin-1-yl)propanoic acid IUPAC Name: 3-(4-butyl-6-hydroxy-5-methyl-2,7-dioxo-3H-quinazolin-1-yl)propanoic acid Traditional Name: 3-(4-butyl-6-hydroxy-2,7-diketo-5-methyl-3H-quinazolin-1-yl)propionic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C(=O)C=C2N(C(=O)N1)CCC(=O)O)O)C

Isomeric SMILES

CCCCC1=C2C(=C(C(=O)C=C2N(C(=O)N1)CCC(=O)O)O)C

InChI

InChI=1S/C16H20N2O5/c1-3-4-5-10-14-9(2)15(22)12(19)8-11(14)18(16(23)17-10)7-6-13(20)21/h8,22H,3-7H2,1-2H3,(H,17,23)(H,20,21)