6-chloranyl-3-(2-methoxyphenyl)-5-methyl-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 6-chloranyl-3-(2-methoxyphenyl)-5-methyl-2-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-benzyl-6-chloro-3-(2-methoxyphenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 6-chloro-3-(2-methoxyphenyl)-5-methyl-2-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 2-benzyl-6-chloro-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-benzyl-6-chloro-3-(2-methoxyphenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C21H17ClN3O2- MolecularWeight: 378.83158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1Cl)[O-])CC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1Cl)[O-])CC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H18ClN3O2/c1-13-19(22)21(26)25-20(23-13)18(15-10-6-7-11-17(15)27-2)16(24-25)12-14-8-4-3-5-9-14/h3-11,26H,12H2,1-2H3/p-1