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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC=CC5=CC=CC=C54

InChI

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