2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]-1-piperidino-ethanone Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H18BrN3OS2/c20-14-6-4-13(5-7-14)15-10-25-18-17(15)19(22-12-21-18)26-11-16(24)23-8-2-1-3-9-23/h4-7,10,12H,1-3,8-9,11H2