sodium 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfinate

Systemtic Name: sodium 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfinate Openeye Name: sodium 4-[6,7-dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfinate CAS Name: sodium 4-[6,7-dimethyl-3-(4-methylphenyl)-2-pyrazolo[1,5-a]pyrimidinyl]benzenesulfinate IUPAC Name: sodium 4-[6,7-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfinate Traditional Name: sodium 4-[6,7-dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-2-yl]benzenesulfinate Formula: C21H18N3NaO2S MolecularWeight: 399.44129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3N=CC(=C(N3N=C2C4=CC=C(C=C4)S(=O)[O-])C)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3N=CC(=C(N3N=C2C4=CC=C(C=C4)S(=O)[O-])C)C.[Na+]

InChI

InChI=1S/C21H19N3O2S.Na/c1-13-4-6-16(7-5-13)19-20(17-8-10-18(11-9-17)27(25)26)23-24-15(3)14(2)12-22-21(19)24;/h4-12H,1-3H3,(H,25,26);/q;+1/p-1