3-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[[4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl]-4-keto-phthalazine-1-carboxylate Formula: C19H13FN7O3- MolecularWeight: 406.350023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N)C(=O)[O-]

InChI

InChI=1S/C19H14FN7O3/c20-10-5-7-11(8-6-10)22-19-24-14(23-18(21)25-19)9-27-16(28)13-4-2-1-3-12(13)15(26-27)17(29)30/h1-8H,9H2,(H,29,30)(H3,21,22,23,24,25)/p-1