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

Systemtic Name: methyl 4-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-6-anilino-s-triazin-2-yl)methylthio]methyl]benzoic acid methyl ester Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H19N5O2S/c1-26-17(25)14-9-7-13(8-10-14)11-27-12-16-22-18(20)24-19(23-16)21-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H3,20,21,22,23,24)