2-[3-(2-methoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(2-methoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylethanoic acid Openeye Name: 2-[3-(2-methoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetic acid CAS Name: 2-[[3-(2-methoxyphenyl)-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetic acid Traditional Name: 2-[[3-(2-methoxyphenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]acetic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)O)C)C3=CC=CC=C3OC

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC(=O)O)C)C3=CC=CC=C3OC

InChI

InChI=1S/C17H17N3O3S/c1-10-8-14(24-9-15(21)22)20-17(18-10)16(11(2)19-20)12-6-4-5-7-13(12)23-3/h4-8H,9H2,1-3H3,(H,21,22)