[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 4-methylsulfanylbenzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 4-methylsulfanylbenzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C12H13N5O2S/c1-20-8-4-2-7(3-5-8)10(18)19-6-9-15-11(13)17-12(14)16-9/h2-5H,6H2,1H3,(H4,13,14,15,16,17)