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

Systemtic Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-[4-(2-methoxyethylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(phenylthio)propionamide Formula: C20H26N6O2S2 MolecularWeight: 446.58944

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)CCSC3=CC=CC=C3)SC

Isomeric SMILES

COCCNC1=NC(=NC2=C1C=NN2CCNC(=O)CCSC3=CC=CC=C3)SC

InChI

InChI=1S/C20H26N6O2S2/c1-28-12-10-22-18-16-14-23-26(19(16)25-20(24-18)29-2)11-9-21-17(27)8-13-30-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,21,27)(H,22,24,25)