1-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: 1-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazole-4-carboxylate Openeye Name: 1-(6-butyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(6-butyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-4-pyrazolecarboxylate IUPAC Name: 1-(6-butyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(6-butyl-4-keto-1H-pyrimidin-2-yl)-5-methyl-pyrazole-4-carboxylate Formula: C13H15N4O3- MolecularWeight: 275.2832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)N2C(=C(C=N2)C(=O)[O-])C

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)N2C(=C(C=N2)C(=O)[O-])C

InChI

InChI=1S/C13H16N4O3/c1-3-4-5-9-6-11(18)16-13(15-9)17-8(2)10(7-14-17)12(19)20/h6-7H,3-5H2,1-2H3,(H,19,20)(H,15,16,18)/p-1