3,5-bis[[4-azanyl-6-(furan-2-ylmethyl)-5-oxidanylidene-1,2,4-triazin-3-yl]amino]benzoic acid

Systemtic Name: 3,5-bis[[4-azanyl-6-(furan-2-ylmethyl)-5-oxidanylidene-1,2,4-triazin-3-yl]amino]benzoic acid Openeye Name: 3,5-bis[[4-amino-6-(2-furylmethyl)-5-oxo-1,2,4-triazin-3-yl]amino]benzoic acid CAS Name: 3,5-bis[[4-amino-6-(2-furanylmethyl)-5-oxo-1,2,4-triazin-3-yl]amino]benzoic acid IUPAC Name: 3,5-bis[[4-amino-6-(furan-2-ylmethyl)-5-oxo-1,2,4-triazin-3-yl]amino]benzoic acid Traditional Name: 3,5-bis[[4-amino-6-(2-furfuryl)-5-keto-1,2,4-triazin-3-yl]amino]benzoic acid Formula: C23H20N10O6 MolecularWeight: 532.4683

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CC2=NN=C(N(C2=O)N)NC3=CC(=CC(=C3)C(=O)O)NC4=NN=C(C(=O)N4N)CC5=CC=CO5

Isomeric SMILES

C1=COC(=C1)CC2=NN=C(N(C2=O)N)NC3=CC(=CC(=C3)C(=O)O)NC4=NN=C(C(=O)N4N)CC5=CC=CO5

InChI

InChI=1S/C23H20N10O6/c24-32-19(34)17(10-15-3-1-5-38-15)28-30-22(32)26-13-7-12(21(36)37)8-14(9-13)27-23-31-29-18(20(35)33(23)25)11-16-4-2-6-39-16/h1-9H,10-11,24-25H2,(H,26,30)(H,27,31)(H,36,37)