N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1,3-benzothiazole-2-carboxamide Formula: C20H21N7OS2 MolecularWeight: 439.55704

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4S3)C(=N1)N5CCCC5

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)C3=NC4=CC=CC=C4S3)C(=N1)N5CCCC5

InChI

InChI=1S/C20H21N7OS2/c1-29-20-24-16(26-9-4-5-10-26)13-12-22-27(17(13)25-20)11-8-21-18(28)19-23-14-6-2-3-7-15(14)30-19/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,28)