N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H22N4O2S2/c25-18(13-28-20-17-5-10-27-19(17)22-14-23-20)21-11-15-3-1-2-4-16(15)12-24-6-8-26-9-7-24/h1-5,10,14H,6-9,11-13H2,(H,21,25)/p+1