[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-pyrrol-1-ylbenzoate

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-pyrrol-1-ylbenzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic 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 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C21H17FN6O2 MolecularWeight: 404.397083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

Isomeric SMILES

C1=CN(C=C1)C2=CC=CC(=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

InChI

InChI=1S/C21H17FN6O2/c22-15-6-8-16(9-7-15)24-21-26-18(25-20(23)27-21)13-30-19(29)14-4-3-5-17(12-14)28-10-1-2-11-28/h1-12H,13H2,(H3,23,24,25,26,27)