2-azanyl-4-[[4-fluoranyl-6-(2-pent-4-enoxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[4-fluoranyl-6-(2-pent-4-enoxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-fluoro-6-(2-pent-4-enoxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-fluoro-6-(2-pent-4-enoxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-fluoro-6-(2-pent-4-enoxyethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-fluoro-6-(2-pent-4-enoxyethylamino)-s-triazin-2-yl]amino]besylic acid Formula: C16H21FN6O4S MolecularWeight: 412.439143

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCOCCNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)F

Isomeric SMILES

C=CCCCOCCNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)F

InChI

InChI=1S/C16H21FN6O4S/c1-2-3-4-8-27-9-7-19-15-21-14(17)22-16(23-15)20-11-5-6-13(12(18)10-11)28(24,25)26/h2,5-6,10H,1,3-4,7-9,18H2,(H,24,25,26)(H2,19,20,21,22,23)