4-[[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-4-keto-butyrate Formula: C14H16N5O4- MolecularWeight: 318.30794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H17N5O4/c1-3-9-7-12(21)17-14(15-9)19-10(6-8(2)18-19)16-11(20)4-5-13(22)23/h6-7H,3-5H2,1-2H3,(H,16,20)(H,22,23)(H,15,17,21)/p-1