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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-thiophen-2-ylethanoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic 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 2-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C16H14FN5O2S MolecularWeight: 359.378063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

C1=CSC(=C1)CC(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C16H14FN5O2S/c17-10-3-5-11(6-4-10)19-16-21-13(20-15(18)22-16)9-24-14(23)8-12-2-1-7-25-12/h1-7H,8-9H2,(H3,18,19,20,21,22)