3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propanamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propanamide Openeye Name: 3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propanamide CAS Name: 3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-phenethylpropanamide IUPAC Name: 3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethylpropanamide Traditional Name: 3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propionamide Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O2/c1-20(2,3)25-18-16(13-23-25)19(27)24(14-22-18)12-10-17(26)21-11-9-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,21,26)