4-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrrol-1-yl-thiazole-5-carboxamide CAS Name: 4-methyl-N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(1-pyrrolyl)-5-thiazolecarboxamide IUPAC Name: 4-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-pyrrol-1-yl-thiazole-5-carboxamide Formula: C21H24N8OS2 MolecularWeight: 468.59826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCC5

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NCCN3C4=C(C=N3)C(=NC(=N4)SC)N5CCCC5

InChI

InChI=1S/C21H24N8OS2/c1-14-16(32-21(24-14)28-10-5-6-11-28)19(30)22-7-12-29-18-15(13-23-29)17(25-20(26-18)31-2)27-8-3-4-9-27/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,22,30)