2-(azocan-1-ium-1-ylmethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azocan-1-iumylmethyl)-5-(5-methyl-2-thiophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H24N3OS2+ MolecularWeight: 374.54336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCCCCCC4

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCCCCCC4

InChI

InChI=1S/C19H23N3OS2/c1-13-7-8-15(25-13)14-12-24-19-17(14)18(23)20-16(21-19)11-22-9-5-3-2-4-6-10-22/h7-8,12H,2-6,9-11H2,1H3,(H,20,21,23)/p+1