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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(phenylthio)propionamide Formula: C21H28N6OS2 MolecularWeight: 444.61662

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CCSC3=CC=CC=C3)C(=N1)NC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CCSC3=CC=CC=C3)C(=N1)NC(C)C

InChI

InChI=1S/C21H28N6OS2/c1-4-29-21-25-19(24-15(2)3)17-14-23-27(20(17)26-21)12-11-22-18(28)10-13-30-16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,22,28)(H,24,25,26)