2-[(4-fluoranyl-6-methyl-1,3,5-triazin-2-yl)amino]-5-methyl-benzene-1,4-disulfonic acid

Systemtic Name: 2-[(4-fluoranyl-6-methyl-1,3,5-triazin-2-yl)amino]-5-methyl-benzene-1,4-disulfonic acid Openeye Name: 2-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)amino]-5-methyl-benzene-1,4-disulfonic acid CAS Name: 2-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)amino]-5-methylbenzene-1,4-disulfonic acid IUPAC Name: 2-[(4-fluoro-6-methyl-1,3,5-triazin-2-yl)amino]-5-methylbenzene-1,4-disulfonic acid Traditional Name: 2-[(4-fluoro-6-methyl-s-triazin-2-yl)amino]-5-methyl-benzene-1,4-disulfonic acid Formula: C11H11FN4O6S2 MolecularWeight: 378.356643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)NC2=NC(=NC(=N2)C)F)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)NC2=NC(=NC(=N2)C)F)S(=O)(=O)O

InChI

InChI=1S/C11H11FN4O6S2/c1-5-3-9(24(20,21)22)7(4-8(5)23(17,18)19)15-11-14-6(2)13-10(12)16-11/h3-4H,1-2H3,(H,17,18,19)(H,20,21,22)(H,13,14,15,16)