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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(2-pyrimidylthio)acetamide Formula: C18H24N8OS2 MolecularWeight: 432.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)CSC3=NC=CC=N3)C(=N1)NC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)CSC3=NC=CC=N3)C(=N1)NC(C)C

InChI

InChI=1S/C18H24N8OS2/c1-4-28-18-24-15(23-12(2)3)13-10-22-26(16(13)25-18)9-8-19-14(27)11-29-17-20-6-5-7-21-17/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,19,27)(H,23,24,25)