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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-thiazole-5-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-methyl-2-(1-pyrrolyl)-5-thiazolecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-methyl-2-pyrrol-1-yl-thiazole-5-carboxamide Formula: C22H26N8OS2 MolecularWeight: 482.62484

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=C(S3)N4C=CC=C4)C)C(=N1)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=C(S3)N4C=CC=C4)C)C(=N1)N5CCCC5

InChI

InChI=1S/C22H26N8OS2/c1-3-32-21-26-18(28-9-4-5-10-28)16-14-24-30(19(16)27-21)13-8-23-20(31)17-15(2)25-22(33-17)29-11-6-7-12-29/h6-7,11-12,14H,3-5,8-10,13H2,1-2H3,(H,23,31)