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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C=C(CN(C2=C1)NC(C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=NN2C=C(CN(C2=C1)NC(C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

InChI

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