N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-benzamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-benzamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-benzamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-phenoxybenzamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxybenzamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-benzamide Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=N1)NCC(C)C

InChI

InChI=1S/C26H30N6O2S/c1-4-35-26-30-23(28-16-18(2)3)21-17-29-32(24(21)31-26)15-14-27-25(33)20-12-8-9-13-22(20)34-19-10-6-5-7-11-19/h5-13,17-18H,4,14-16H2,1-3H3,(H,27,33)(H,28,30,31)