N-[2,4-bis(fluoranyl)phenyl]-4-thieno[2,3-d]pyrimidin-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-thieno[2,3-d]pyrimidin-4-yl-piperazine-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-thieno[2,3-d]pyrimidin-4-yl-piperazine-1-carbothioamide CAS Name: N-(2,4-difluorophenyl)-4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,4-difluorophenyl)-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-thieno[2,3-d]pyrimidin-4-yl-piperazine-1-carbothioamide Formula: C17H15F2N5S2 MolecularWeight: 391.461306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CSC3=NC=N2)C(=S)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CSC3=NC=N2)C(=S)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C17H15F2N5S2/c18-11-1-2-14(13(19)9-11)22-17(25)24-6-4-23(5-7-24)15-12-3-8-26-16(12)21-10-20-15/h1-3,8-10H,4-7H2,(H,22,25)