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

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

Systemtic Name:4-[1-(dimethylamino)propylamino]-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid
Openeye Name:4-[1-(dimethylamino)propylamino]-2-methyl-5-nitro-6-thioxo-1H-pyridine-3-carboxylic acid
CAS Name:4-[1-(dimethylamino)propylamino]-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid
IUPAC Name:4-[1-(dimethylamino)propylamino]-2-methyl-5-nitro-6-sulfanylidene-1H-pyridine-3-carboxylic acid
Traditional Name:4-[1-(dimethylamino)propylamino]-2-methyl-5-nitro-6-thioxo-1H-pyridine-3-carboxylic acid
Formula: C12H18N4O4S
MolecularWeight: 314.36072
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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=C(C(=S)NC(=C1C(=O)O)C)[N+](=O)[O-])N(C)C


Isomeric SMILES

CCC(NC1=C(C(=S)NC(=C1C(=O)O)C)[N+](=O)[O-])N(C)C


InChI

InChI=1S/C12H18N4O4S/c1-5-7(15(3)4)14-9-8(12(17)18)6(2)13-11(21)10(9)16(19)20/h7H,5H2,1-4H3,(H,17,18)(H2,13,14,21)


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