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

Systemtic Name: 7-[[(4-methoxyphenyl)sulfonyl-pyridin-3-yl-methyl]amino]-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 7-[[(4-methoxyphenyl)sulfonyl-(3-pyridyl)methyl]amino]-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 7-[[(4-methoxyphenyl)sulfonyl-(3-pyridinyl)methyl]amino]-2-methyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-[[(4-methoxyphenyl)sulfonyl-pyridin-3-ylmethyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 7-[[(4-methoxyphenyl)sulfonyl-(3-pyridyl)methyl]amino]-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C1)N=CC(=C2NC(C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=NN2C(=C1)N=CC(=C2NC(C3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C21H19N5O5S/c1-13-10-18-23-12-17(21(27)28)19(26(18)25-13)24-20(14-4-3-9-22-11-14)32(29,30)16-7-5-15(31-2)6-8-16/h3-12,20,24H,1-2H3,(H,27,28)