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

Systemtic Name: N-[(4-piperidin-1-ylcarbonylphenyl)methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[4-(piperidine-1-carbonyl)benzyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C21H22N4O2S2/c26-18(13-29-20-17-8-11-28-19(17)23-14-24-20)22-12-15-4-6-16(7-5-15)21(27)25-9-2-1-3-10-25/h4-8,11,14H,1-3,9-10,12-13H2,(H,22,26)