5-[(4R)-2,2-dimethyloxan-4-yl]-2-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-[(4R)-2,2-dimethyloxan-4-yl]-2-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-2-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-[(4R)-2,2-dimethyl-4-oxanyl]-2-thiophen-2-yl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-[(4R)-2,2-dimethyloxan-4-yl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-2-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C17H18N3O2S- MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C2=NC3=CC(=NN3C(=C2)[O-])C4=CC=CS4)C

Isomeric SMILES

CC1(C[C@@H](CCO1)C2=NC3=CC(=NN3C(=C2)[O-])C4=CC=CS4)C

InChI

InChI=1S/C17H19N3O2S/c1-17(2)10-11(5-6-22-17)12-9-16(21)20-15(18-12)8-13(19-20)14-4-3-7-23-14/h3-4,7-9,11,21H,5-6,10H2,1-2H3/p-1/t11-/m1/s1