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

Systemtic Name: 3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propanamide Openeye Name: 3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propanamide CAS Name: 3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-phenethylpropanamide IUPAC Name: 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethylpropanamide Traditional Name: 3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenethyl-propionamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-15-24-19-17(14-23-26(19)21(2,3)4)20(28)25(15)13-11-18(27)22-12-10-16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3,(H,22,27)