6-chloranyl-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 6-chloranyl-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 6-chloro-2-[3-(2,5-dimethylpyrrol-1-yl)-2-thienyl]-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 6-chloro-2-[3-(2,5-dimethyl-1-pyrrolyl)-2-thiophenyl]-5-methyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 6-chloro-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-methylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 6-chloro-2-[3-(2,5-dimethylpyrrol-1-yl)-2-thienyl]-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C17H14ClN4OS- MolecularWeight: 357.83726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=C3)N=C(C(=C4[O-])Cl)C)C

Isomeric SMILES

CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=C3)N=C(C(=C4[O-])Cl)C)C

InChI

InChI=1S/C17H15ClN4OS/c1-9-4-5-10(2)21(9)13-6-7-24-16(13)12-8-14-19-11(3)15(18)17(23)22(14)20-12/h4-8,23H,1-3H3/p-1