4-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]quinazoline-7-carboxylic acid

Systemtic Name: 4-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]quinazoline-7-carboxylic acid Openeye Name: 4-[(6-hydroxy-6-oxo-hexyl)amino]quinazoline-7-carboxylic acid CAS Name: 4-[(6-hydroxy-6-oxohexyl)amino]-7-quinazolinecarboxylic acid IUPAC Name: 4-[(6-hydroxy-6-oxohexyl)amino]quinazoline-7-carboxylic acid Traditional Name: 4-[(6-hydroxy-6-keto-hexyl)amino]quinazoline-7-carboxylic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=CN=C2NCCCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=CN=C2NCCCCCC(=O)O

InChI

InChI=1S/C15H17N3O4/c19-13(20)4-2-1-3-7-16-14-11-6-5-10(15(21)22)8-12(11)17-9-18-14/h5-6,8-9H,1-4,7H2,(H,19,20)(H,21,22)(H,16,17,18)