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

Systemtic Name: 6-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-2-(4-morpholin-4-iumylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O2S/c1-12-15(13-5-3-2-4-6-13)16-17(22)19-14(20-18(16)24-12)11-21-7-9-23-10-8-21/h2-6H,7-11H2,1H3,(H,19,20,22)/p+1