2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[2-(4-morpholin-4-iumyl)ethylthio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-(2-morpholin-4-ium-4-ylethylthio)-6-phenyl-1H-pyrimidin-4-one Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O2S/c20-15-12-14(13-4-2-1-3-5-13)17-16(18-15)22-11-8-19-6-9-21-10-7-19/h1-5,12H,6-11H2,(H,17,18,20)/p+1