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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-thiophen-2-yl-cyclopentane-1-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(2-thienyl)cyclopentanecarboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-thiophen-2-yl-1-cyclopentanecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(2-thienyl)cyclopentanecarboxamide Formula: C22H30N6OS2 MolecularWeight: 458.6432

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3(CCCC3)C4=CC=CS4)C(=N1)NC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3(CCCC3)C4=CC=CS4)C(=N1)NC(C)C

InChI

InChI=1S/C22H30N6OS2/c1-4-30-21-26-18(25-15(2)3)16-14-24-28(19(16)27-21)12-11-23-20(29)22(9-5-6-10-22)17-8-7-13-31-17/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,23,29)(H,25,26,27)