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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-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 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C18H18FN5O2S MolecularWeight: 387.431223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C

InChI

InChI=1S/C18H18FN5O2S/c1-3-13-10(2)8-14(27-13)16(25)26-9-15-22-17(20)24-18(23-15)21-12-6-4-11(19)5-7-12/h4-8H,3,9H2,1-2H3,(H3,20,21,22,23,24)