6-azanyl-4-(butylamino)-5-(ethoxycarbonylamino)-2-methyl-pyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-4-(butylamino)-5-(ethoxycarbonylamino)-2-methyl-pyridine-3-carboxylic acid Openeye Name: 6-amino-4-(butylamino)-5-(ethoxycarbonylamino)-2-methyl-pyridine-3-carboxylic acid CAS Name: 6-amino-4-(butylamino)-5-(ethoxycarbonylamino)-2-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-amino-4-(butylamino)-5-(ethoxycarbonylamino)-2-methylpyridine-3-carboxylic acid Traditional Name: 6-amino-4-(butylamino)-5-(carbethoxyamino)-2-methyl-nicotinic acid Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC(=C1NC(=O)OCC)N)C)C(=O)O

Isomeric SMILES

CCCCNC1=C(C(=NC(=C1NC(=O)OCC)N)C)C(=O)O

InChI

InChI=1S/C14H22N4O4/c1-4-6-7-16-10-9(13(19)20)8(3)17-12(15)11(10)18-14(21)22-5-2/h4-7H2,1-3H3,(H,18,21)(H,19,20)(H3,15,16,17)