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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(p-tolylsulfanyl)propanoate CAS Name: 2-[(4-methylphenyl)thio]propanoic 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 2-(4-methylphenyl)sulfanylpropanoate Traditional Name: 2-(p-tolylthio)propionic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OCC2=NC(=NC(=N2)N(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)OCC2=NC(=NC(=N2)N(C)C)N

InChI

InChI=1S/C16H21N5O2S/c1-10-5-7-12(8-6-10)24-11(2)14(22)23-9-13-18-15(17)20-16(19-13)21(3)4/h5-8,11H,9H2,1-4H3,(H2,17,18,19,20)