5-azanyl-4-[3-(dimethylamino)propylamino]-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 5-azanyl-4-[3-(dimethylamino)propylamino]-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 5-amino-4-[3-(dimethylamino)propylamino]-2-methyl-6-thioxo-1H-pyridine-3-carboxylic acid CAS Name: 5-amino-4-[3-(dimethylamino)propylamino]-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid IUPAC Name: 5-amino-4-[3-(dimethylamino)propylamino]-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid Traditional Name: 5-amino-4-[3-(dimethylamino)propylamino]-2-methyl-6-thioxo-1H-pyridine-3-carboxylic acid Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=S)N1)N)NCCCN(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=S)N1)N)NCCCN(C)C)C(=O)O

InChI

InChI=1S/C12H20N4O2S/c1-7-8(12(17)18)10(9(13)11(19)15-7)14-5-4-6-16(2)3/h4-6,13H2,1-3H3,(H,17,18)(H2,14,15,19)