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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H28N6O2/c1-18(2)33-21-10-8-20(9-11-21)25(32)27-14-15-31-24-22(16-30-31)23(28-17-29-24)26-13-12-19-6-4-3-5-7-19/h3-11,16-18H,12-15H2,1-2H3,(H,27,32)(H,26,28,29)