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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(phenylthio)propionamide Formula: C22H30N6OS2 MolecularWeight: 458.6432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6OS2/c1-4-30-22-26-20(24-14-16(2)3)18-15-25-28(21(18)27-22)12-11-23-19(29)10-13-31-17-8-6-5-7-9-17/h5-9,15-16H,4,10-14H2,1-3H3,(H,23,29)(H,24,26,27)