N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-naphthalenecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]naphthalene-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-naphthamide Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=CC=CC=C4C=C3)C(=N1)NC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC4=CC=CC=C4C=C3)C(=N1)NC(C)C

InChI

InChI=1S/C23H26N6OS/c1-4-31-23-27-20(26-15(2)3)19-14-25-29(21(19)28-23)12-11-24-22(30)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15H,4,11-12H2,1-3H3,(H,24,30)(H,26,27,28)