4-[(4-oxidanyl-4-oxidanylidene-butyl)amino]quinazoline-7-carboxylic acid

Systemtic Name: 4-[(4-oxidanyl-4-oxidanylidene-butyl)amino]quinazoline-7-carboxylic acid Openeye Name: 4-[(4-hydroxy-4-oxo-butyl)amino]quinazoline-7-carboxylic acid CAS Name: 4-[(4-hydroxy-4-oxobutyl)amino]-7-quinazolinecarboxylic acid IUPAC Name: 4-[(4-hydroxy-4-oxobutyl)amino]quinazoline-7-carboxylic acid Traditional Name: 4-[(4-hydroxy-4-keto-butyl)amino]quinazoline-7-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=CN=C2NCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=CN=C2NCCCC(=O)O

InChI

InChI=1S/C13H13N3O4/c17-11(18)2-1-5-14-12-9-4-3-8(13(19)20)6-10(9)15-7-16-12/h3-4,6-7H,1-2,5H2,(H,17,18)(H,19,20)(H,14,15,16)