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

Systemtic Name: methyl 4-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]methyl]benzoic acid methyl ester Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)CSCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)CSCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H19N5O2S/c1-20(2)15-18-12(17-14(16)19-15)9-23-8-10-4-6-11(7-5-10)13(21)22-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19)