5-hexyl-2-[4-(2-hydroxyethyl)-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-hexyl-2-[4-(2-hydroxyethyl)-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-hexyl-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-6-methyl-pyrimidin-4-olate CAS Name: 5-hexyl-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-6-methyl-4-pyrimidinolate IUPAC Name: 5-hexyl-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-6-methylpyrimidin-4-olate Traditional Name: 5-hexyl-2-[4-(2-hydroxyethyl)-5-keto-3-methyl-3-pyrazolin-1-yl]-6-methyl-pyrimidin-4-olate Formula: C17H25N4O3- MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(N=C1[O-])N2C(=O)C(=C(N2)C)CCO)C

Isomeric SMILES

CCCCCCC1=C(N=C(N=C1[O-])N2C(=O)C(=C(N2)C)CCO)C

InChI

InChI=1S/C17H26N4O3/c1-4-5-6-7-8-13-11(2)18-17(19-15(13)23)21-16(24)14(9-10-22)12(3)20-21/h20,22H,4-10H2,1-3H3,(H,18,19,23)/p-1