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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-morpholin-4-iumylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C17H17N3O2S/c21-16-15-13(12-4-2-1-3-5-12)11-23-17(15)19-14(18-16)10-20-6-8-22-9-7-20/h1-5,11H,6-10H2,(H,18,19,21)/p+1