N-butyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanamide

Systemtic Name: N-butyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanamide Openeye Name: N-butyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanamide CAS Name: N-butyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanamide IUPAC Name: N-butyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanamide Traditional Name: N-butyl-3-[1-(4-fluorophenyl)-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl]propionamide Formula: C19H22FN5O2 MolecularWeight: 371.408683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCN1C(=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCNC(=O)CCN1C(=NC2=C(C1=O)C=NN2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H22FN5O2/c1-3-4-10-21-17(26)9-11-24-13(2)23-18-16(19(24)27)12-22-25(18)15-7-5-14(20)6-8-15/h5-8,12H,3-4,9-11H2,1-2H3,(H,21,26)