[2-fluoranyl-4-(1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbamic acid

Systemtic Name: [2-fluoranyl-4-(1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbamic acid Openeye Name: [2-fluoro-4-(1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbamic acid CAS Name: [2-fluoro-4-[1-methyl-6-(methylthio)-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]carbamic acid IUPAC Name: [2-fluoro-4-(1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]carbamic acid Traditional Name: [2-fluoro-4-[1-methyl-6-(methylthio)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]carbamic acid Formula: C14H12FN5O2S MolecularWeight: 333.340783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2C(=N1)C3=CC(=C(C=C3)NC(=O)O)F)SC

Isomeric SMILES

CN1C2=NC(=NC=C2C(=N1)C3=CC(=C(C=C3)NC(=O)O)F)SC

InChI

InChI=1S/C14H12FN5O2S/c1-20-12-8(6-16-13(18-12)23-2)11(19-20)7-3-4-10(9(15)5-7)17-14(21)22/h3-6,17H,1-2H3,(H,21,22)