(4E)-4-(4-azanyl-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-2-fluoranyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(4-azanyl-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-2-fluoranyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(4-amino-1-isopropyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-2-fluoro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-2-fluoro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-2-fluorocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(4-amino-1-isopropyl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)-2-fluoro-cyclohexa-2,5-dien-1-one Formula: C14H14FN5O MolecularWeight: 287.292263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=C3C=CC(=O)C(=C3)F)N1)C(=NC=N2)N

Isomeric SMILES

CC(C)N1C2=C(/C(=C\3/C=CC(=O)C(=C3)F)/N1)C(=NC=N2)N

InChI

InChI=1S/C14H14FN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-10(21)9(15)5-8/h3-7,19H,1-2H3,(H2,16,17,18)/b12-8+