N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[2-[6-(ethylthio)-4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[2-[6-(ethylthio)-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(4-pyridylthio)acetamide Formula: C19H25N7OS2 MolecularWeight: 431.5781

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)CSC3=CC=NC=C3)SCC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)CSC3=CC=NC=C3)SCC

InChI

InChI=1S/C19H25N7OS2/c1-3-7-22-17-15-12-23-26(18(15)25-19(24-17)28-4-2)11-10-21-16(27)13-29-14-5-8-20-9-6-14/h5-6,8-9,12H,3-4,7,10-11,13H2,1-2H3,(H,21,27)(H,22,24,25)