5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C20H18N5OS- MolecularWeight: 376.45482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=C(C(=NN3C(=C2)[O-])C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=C(C(=NN3C(=C2)[O-])C)C4=CC=CC=C4)C

InChI

InChI=1S/C20H19N5OS/c1-12-9-13(2)22-20(21-12)27-11-16-10-17(26)25-19(23-16)18(14(3)24-25)15-7-5-4-6-8-15/h4-10,26H,11H2,1-3H3/p-1