6-chloranyl-3-(3,4-dimethoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 6-chloranyl-3-(3,4-dimethoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 6-chloro-3-(3,4-dimethoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 6-chloro-3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 6-chloro-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 6-chloro-3-(3,4-dimethoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C16H15ClN3O3- MolecularWeight: 332.7616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C1C3=CC(=C(C=C3)OC)OC)N=C(C(=C2[O-])Cl)C

Isomeric SMILES

CC1=NN2C(=C1C3=CC(=C(C=C3)OC)OC)N=C(C(=C2[O-])Cl)C

InChI

InChI=1S/C16H16ClN3O3/c1-8-13(10-5-6-11(22-3)12(7-10)23-4)15-18-9(2)14(17)16(21)20(15)19-8/h5-7,21H,1-4H3/p-1