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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O/c29-22(18-9-5-2-6-10-18)24-13-14-28-21-19(15-27-28)20(25-16-26-21)23-12-11-17-7-3-1-4-8-17/h1,3-4,7-8,15-16,18H,2,5-6,9-14H2,(H,24,29)(H,23,25,26)