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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-naphthalenecarboxamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-naphthamide Formula: C26H24N6O MolecularWeight: 436.50836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H24N6O/c33-26(22-11-10-20-8-4-5-9-21(20)16-22)28-14-15-32-25-23(17-31-32)24(29-18-30-25)27-13-12-19-6-2-1-3-7-19/h1-11,16-18H,12-15H2,(H,28,33)(H,27,29,30)