2-[4-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-methyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]thiazol-5-yl]acetic acid Formula: C12H11N5O2S2 MolecularWeight: 321.37804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=NC=NC3=C2C=NN3C)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC2=NC=NC3=C2C=NN3C)CC(=O)O

InChI

InChI=1S/C12H11N5O2S2/c1-6-8(3-9(18)19)20-12(16-6)21-11-7-4-15-17(2)10(7)13-5-14-11/h4-5H,3H2,1-2H3,(H,18,19)