N-octyl-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-octyl-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-octyl-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-octyl-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-octyl-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: 3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-octyl-propionamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CCN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCNC(=O)CCN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O2/c1-2-3-4-5-6-10-14-23-20(28)13-15-26-17-24-21-19(22(26)29)16-25-27(21)18-11-8-7-9-12-18/h7-9,11-12,16-17H,2-6,10,13-15H2,1H3,(H,23,28)