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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C18H18FN7O3 MolecularWeight: 399.379023

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C18H18FN7O3/c1-2-9-26-15(27)8-7-13(25-26)16(28)29-10-14-22-17(20)24-18(23-14)21-12-5-3-11(19)4-6-12/h3-8H,2,9-10H2,1H3,(H3,20,21,22,23,24)