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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(phenylthio)propionamide Formula: C21H28N6O2S2 MolecularWeight: 460.61602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2S2/c1-3-30-21-25-19(23-11-13-29-2)17-15-24-27(20(17)26-21)12-10-22-18(28)9-14-31-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,22,28)(H,23,25,26)