(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate CAS Name: 2-[(2-fluorophenyl)thio]acetic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate Traditional Name: 2-[(2-fluorophenyl)thio]acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H16FN5O2S MolecularWeight: 385.415343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC=CC=C3F

InChI

InChI=1S/C18H16FN5O2S/c19-13-8-4-5-9-14(13)27-11-16(25)26-10-15-22-17(20)24-18(23-15)21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,20,21,22,23,24)