6,7-bis(fluoranyl)-3-methyl-1-pyridin-2-yl-2H-pyrazolo[3,4-b]quinolin-4-one hydrate

Systemtic Name: 6,7-bis(fluoranyl)-3-methyl-1-pyridin-2-yl-2H-pyrazolo[3,4-b]quinolin-4-one hydrate Openeye Name: 6,7-difluoro-3-methyl-1-(2-pyridyl)-2H-pyrazolo[3,4-b]quinolin-4-one hydrate CAS Name: 6,7-difluoro-3-methyl-1-(2-pyridinyl)-2H-pyrazolo[3,4-b]quinolin-4-one hydrate IUPAC Name: 6,7-difluoro-3-methyl-1-pyridin-2-yl-2H-pyrazolo[3,4-b]quinolin-4-one hydrate Traditional Name: 6,7-difluoro-3-methyl-1-(2-pyridyl)-2H-pyrazolo[3,4-b]quinolin-4-one hydrate Formula: C16H12F2N4O2 MolecularWeight: 330.288886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C3=CC(=C(C=C3N=C2N(N1)C4=CC=CC=N4)F)F.O

Isomeric SMILES

CC1=C2C(=O)C3=CC(=C(C=C3N=C2N(N1)C4=CC=CC=N4)F)F.O

InChI

InChI=1S/C16H10F2N4O.H2O/c1-8-14-15(23)9-6-10(17)11(18)7-12(9)20-16(14)22(21-8)13-4-2-3-5-19-13;/h2-7,21H,1H3;1H2