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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-dimethyl-thiazole-5-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2,4-dimethyl-5-thiazolecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2,4-dimethyl-thiazole-5-carboxamide Formula: C19H25N7OS2 MolecularWeight: 431.5781

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=C(S3)C)C)C(=N1)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=C(N=C(S3)C)C)C(=N1)N4CCCC4

InChI

InChI=1S/C19H25N7OS2/c1-4-28-19-23-16(25-8-5-6-9-25)14-11-21-26(17(14)24-19)10-7-20-18(27)15-12(2)22-13(3)29-15/h11H,4-10H2,1-3H3,(H,20,27)