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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-chloranylthiophene-2-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic 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 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C11H12ClN5O2S MolecularWeight: 313.76328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C11H12ClN5O2S/c1-17(2)11-15-8(14-10(13)16-11)5-19-9(18)6-3-4-7(12)20-6/h3-4H,5H2,1-2H3,(H2,13,14,15,16)