N-[1-(phenylmethyl)piperidin-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CSC2=NC=NC3=C2C=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CSC2=NC=NC3=C2C=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS2/c25-18(13-27-20-17-8-11-26-19(17)21-14-22-20)23-16-6-9-24(10-7-16)12-15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12-13H2,(H,23,25)