3-[2-(4,6-dimethyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(4,6-dimethyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid CAS Name: 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid Traditional Name: 3-[[2-(2-keto-4,6-dimethyl-1H-pyrimidin-5-yl)acetyl]amino]butyric acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)C)CC(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)C)CC(=O)NC(C)CC(=O)O

InChI

InChI=1S/C12H17N3O4/c1-6(4-11(17)18)13-10(16)5-9-7(2)14-12(19)15-8(9)3/h6H,4-5H2,1-3H3,(H,13,16)(H,17,18)(H,14,15,19)