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

Systemtic Name: 2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]nicotinic acid Formula: C12H14N6O2S MolecularWeight: 306.34356

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H14N6O2S/c1-18(2)12-16-8(15-11(13)17-12)6-21-9-7(10(19)20)4-3-5-14-9/h3-5H,6H2,1-2H3,(H,19,20)(H2,13,15,16,17)