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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCC(=O)[O-])C2=NC(=O)C(=C(N2)C)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCC(=O)[O-])C2=NC(=O)C(=C(N2)C)C

InChI

InChI=1S/C14H17N5O4/c1-7-6-10(16-11(20)4-5-12(21)22)19(18-7)14-15-9(3)8(2)13(23)17-14/h6H,4-5H2,1-3H3,(H,16,20)(H,21,22)(H,15,17,23)/p-1