4-[(4-oxidanyl-4-oxidanylidene-butyl)amino]quinazoline-5-carboxylic acid

Systemtic Name: 4-[(4-oxidanyl-4-oxidanylidene-butyl)amino]quinazoline-5-carboxylic acid Openeye Name: 4-[(4-hydroxy-4-oxo-butyl)amino]quinazoline-5-carboxylic acid CAS Name: 4-[(4-hydroxy-4-oxobutyl)amino]-5-quinazolinecarboxylic acid IUPAC Name: 4-[(4-hydroxy-4-oxobutyl)amino]quinazoline-5-carboxylic acid Traditional Name: 4-[(4-hydroxy-4-keto-butyl)amino]quinazoline-5-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N=CN=C2NCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)N=CN=C2NCCCC(=O)O)C(=O)O

InChI

InChI=1S/C13H13N3O4/c17-10(18)5-2-6-14-12-11-8(13(19)20)3-1-4-9(11)15-7-16-12/h1,3-4,7H,2,5-6H2,(H,17,18)(H,19,20)(H,14,15,16)