4-tert-butyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C26H30N6O MolecularWeight: 442.556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H30N6O/c1-26(2,3)21-11-9-20(10-12-21)25(33)28-15-16-32-24-22(17-31-32)23(29-18-30-24)27-14-13-19-7-5-4-6-8-19/h4-12,17-18H,13-16H2,1-3H3,(H,28,33)(H,27,29,30)