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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic 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-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C19H15FN6O2S MolecularWeight: 410.424803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15FN6O2S/c20-12-3-5-13(6-4-12)22-19-24-15(23-18(21)25-19)11-28-17(27)16-14(7-10-29-16)26-8-1-2-9-26/h1-10H,11H2,(H3,21,22,23,24,25)