4-[[6-(butylamino)pyridin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-(butylamino)pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-(butylamino)-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-(butylamino)-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-(butylamino)pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(butylamino)-3-pyridyl]amino]-4-keto-butyrate Formula: C13H18N3O3- MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCNC1=NC=C(C=C1)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-2-3-8-14-11-5-4-10(9-15-11)16-12(17)6-7-13(18)19/h4-5,9H,2-3,6-8H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p-1