5-azanyl-4-(butylamino)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 5-azanyl-4-(butylamino)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 5-amino-4-(butylamino)-2-methyl-6-thioxo-1H-pyridine-3-carboxylic acid CAS Name: 5-amino-4-(butylamino)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid IUPAC Name: 5-amino-4-(butylamino)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid Traditional Name: 5-amino-4-(butylamino)-2-methyl-6-thioxo-1H-pyridine-3-carboxylic acid Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=S)NC(=C1C(=O)O)C)N

Isomeric SMILES

CCCCNC1=C(C(=S)NC(=C1C(=O)O)C)N

InChI

InChI=1S/C11H17N3O2S/c1-3-4-5-13-9-7(11(15)16)6(2)14-10(17)8(9)12/h3-5,12H2,1-2H3,(H,15,16)(H2,13,14,17)