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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic 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 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C20H15FN6O3 MolecularWeight: 406.369903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H15FN6O3/c21-12-5-7-13(8-6-12)23-20-26-16(25-19(22)27-20)10-30-18(29)15-9-11-3-1-2-4-14(11)17(28)24-15/h1-9H,10H2,(H,24,28)(H3,22,23,25,26,27)