N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(2-pyrimidylthio)acetamide Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H20N4O2S/c22-16(13-24-17-18-6-1-7-19-17)20-15-4-2-14(3-5-15)12-21-8-10-23-11-9-21/h1-7H,8-13H2,(H,20,22)/p+1