4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-2-methyl-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-2-methyl-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-2-methyl-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-2-methyl-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-2-methyl-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-2-methyl-7H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2CC(=CN(C2=C1)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC1=NN2CC(=CN(C2=C1)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C21H21N5O5S/c1-15-10-20-24(23-15)12-16(21(27)28)13-25(20)26(17-4-3-9-22-11-17)14-32(29,30)19-7-5-18(31-2)6-8-19/h3-11,13H,12,14H2,1-2H3,(H,27,28)