3-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-morpholin-4-ium-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O2S/c22-18-16-15(14-4-2-1-3-5-14)12-24-17(16)19-13-21(18)7-6-20-8-10-23-11-9-20/h1-5,12-13H,6-11H2/p+1