6-[[4-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]hexanoic acid

Systemtic Name: 6-[[4-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]hexanoic acid Openeye Name: 6-[[4-anilino-6-[(6-hydroxy-6-oxo-hexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid CAS Name: 6-[[4-anilino-6-[(6-hydroxy-6-oxohexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid IUPAC Name: 6-[[4-anilino-6-[(6-hydroxy-6-oxohexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid Traditional Name: 6-[[4-anilino-6-[(6-hydroxy-6-keto-hexyl)amino]-s-triazin-2-yl]amino]hexanoic acid Formula: C21H30N6O4 MolecularWeight: 430.5007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCCCCC(=O)O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCCCCC(=O)O)NCCCCCC(=O)O

InChI

InChI=1S/C21H30N6O4/c28-17(29)12-6-2-8-14-22-19-25-20(23-15-9-3-7-13-18(30)31)27-21(26-19)24-16-10-4-1-5-11-16/h1,4-5,10-11H,2-3,6-9,12-15H2,(H,28,29)(H,30,31)(H3,22,23,24,25,26,27)