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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-azanyl-3-methylsulfanyl-benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-amino-3-methylsulfanyl-benzoate CAS Name: 4-amino-3-(methylthio)benzoic 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-amino-3-methylsulfanylbenzoate Traditional Name: 4-amino-3-(methylthio)benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C14H18N6O2S MolecularWeight: 334.39672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O2S/c1-20(2)14-18-11(17-13(16)19-14)7-22-12(21)8-4-5-9(15)10(6-8)23-3/h4-6H,7,15H2,1-3H3,(H2,16,17,18,19)