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

Systemtic Name: 4-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]benzoic acid Openeye Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]benzoic acid CAS Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]benzoic acid IUPAC Name: 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]benzoic acid Traditional Name: 4-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]benzoic acid Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15N5O2S/c1-18(2)13-16-10(15-12(14)17-13)7-21-9-5-3-8(4-6-9)11(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H2,14,15,16,17)