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

Systemtic Name: N-ethyl-N-[(3-fluorophenyl)methyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-ethyl-N-[(3-fluorophenyl)methyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-ethyl-N-[(3-fluorophenyl)methyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-ethyl-N-(3-fluorobenzyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C18H20FN5O2 MolecularWeight: 357.382103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C18H20FN5O2/c1-3-23(11-13-5-4-6-14(19)9-13)16(25)7-8-24-12-20-17-15(18(24)26)10-21-22(17)2/h4-6,9-10,12H,3,7-8,11H2,1-2H3