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

Systemtic Name: 5-(5-methylthiophen-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(5-methyl-2-thienyl)-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(5-methyl-2-thiophenyl)-2-(4-morpholin-4-iumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(5-methylthiophen-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(5-methyl-2-thienyl)-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H18N3O2S2+ MolecularWeight: 348.46302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCOCC4

InChI

InChI=1S/C16H17N3O2S2/c1-10-2-3-12(23-10)11-9-22-16-14(11)15(20)17-13(18-16)8-19-4-6-21-7-5-19/h2-3,9H,4-8H2,1H3,(H,17,18,20)/p+1