N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-oxane-4-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-oxane-4-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-tetrahydropyran-4-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-phenyl-4-oxanecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-tetrahydropyran-4-carboxamide Formula: C25H34N6O2S MolecularWeight: 482.64146

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3(CCOCC3)C4=CC=CC=C4)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3(CCOCC3)C4=CC=CC=C4)C(=N1)NCC(C)C

InChI

InChI=1S/C25H34N6O2S/c1-4-34-24-29-21(27-16-18(2)3)20-17-28-31(22(20)30-24)13-12-26-23(32)25(10-14-33-15-11-25)19-8-6-5-7-9-19/h5-9,17-18H,4,10-16H2,1-3H3,(H,26,32)(H,27,29,30)