2-azanyl-5-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]pentanoic acid

Systemtic Name: 2-azanyl-5-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]pentanoic acid Openeye Name: 2-amino-5-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid CAS Name: 2-amino-5-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid IUPAC Name: 2-amino-5-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid Traditional Name: 2-amino-5-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)amino]valeric acid Formula: C13H22N4O4 MolecularWeight: 298.33818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)NCCCC(C(=O)O)N)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)NCCCC(C(=O)O)N)O

InChI

InChI=1S/C13H22N4O4/c1-2-3-5-8-10(18)16-13(17-11(8)19)15-7-4-6-9(14)12(20)21/h9H,2-7,14H2,1H3,(H,20,21)(H3,15,16,17,18,19)