2-(morpholin-4-ium-4-ylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-morpholin-4-iumylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-6-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=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

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