[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H16FN5O2S MolecularWeight: 361.393943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C16H16FN5O2S/c1-8-12-9(17)5-4-6-10(12)25-13(8)14(23)24-7-11-19-15(18)21-16(20-11)22(2)3/h4-6H,7H2,1-3H3,(H2,18,19,20,21)