4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]benzoic acid

Systemtic Name: 4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]benzoic acid Openeye Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)methylthio]benzoic acid IUPAC Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(4,6-diamino-s-triazin-2-yl)methylthio]benzoic acid Formula: C11H11N5O2S MolecularWeight: 277.30234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCC2=NC(=NC(=N2)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C11H11N5O2S/c12-10-14-8(15-11(13)16-10)5-19-7-3-1-6(2-4-7)9(17)18/h1-4H,5H2,(H,17,18)(H4,12,13,14,15,16)