N-[2,4-bis(fluoranyl)phenyl]-2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,4-difluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,4-difluorophenyl)-2-(methylthio)-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,4-difluorophenyl)-2-(methylthio)-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H16F2N4OS2 MolecularWeight: 406.472646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C=C(SC2=N1)C(=O)NC3=C(C=C(C=C3)F)F)N4CCCC4

Isomeric SMILES

CSC1=NC(=C2C=C(SC2=N1)C(=O)NC3=C(C=C(C=C3)F)F)N4CCCC4

InChI

InChI=1S/C18H16F2N4OS2/c1-26-18-22-15(24-6-2-3-7-24)11-9-14(27-17(11)23-18)16(25)21-13-5-4-10(19)8-12(13)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,21,25)