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

Systemtic Name: 4-azanyl-6-[[4-(1-azanylpropan-2-ylamino)-6-fluoranyl-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid Openeye Name: 4-amino-6-[[4-[(2-amino-1-methyl-ethyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid CAS Name: 4-amino-6-[[4-(1-aminopropan-2-ylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid IUPAC Name: 4-amino-6-[[4-(1-aminopropan-2-ylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonic acid Traditional Name: 4-amino-6-[[4-[(2-amino-1-methyl-ethyl)amino]-6-fluoro-s-triazin-2-yl]amino]benzene-1,3-disulfonic acid Formula: C12H16FN7O6S2 MolecularWeight: 437.427143

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)NC1=NC(=NC(=N1)NC2=C(C=C(C(=C2)N)S(=O)(=O)O)S(=O)(=O)O)F

Isomeric SMILES

CC(CN)NC1=NC(=NC(=N1)NC2=C(C=C(C(=C2)N)S(=O)(=O)O)S(=O)(=O)O)F

InChI

InChI=1S/C12H16FN7O6S2/c1-5(4-14)16-11-18-10(13)19-12(20-11)17-7-2-6(15)8(27(21,22)23)3-9(7)28(24,25)26/h2-3,5H,4,14-15H2,1H3,(H,21,22,23)(H,24,25,26)(H2,16,17,18,19,20)