2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanyl-5-phenyl-1H-pyrimidin-6-one

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanyl-5-phenyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-5-phenyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-(2-morpholin-4-ium-4-ylethylthio)-5-phenyl-1H-pyrimidin-6-one Formula: C16H20N3O3S+ MolecularWeight: 334.4133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c20-14-13(12-4-2-1-3-5-12)15(21)18-16(17-14)23-11-8-19-6-9-22-10-7-19/h1-5H,6-11H2,(H2,17,18,20,21)/p+1