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

Systemtic Name: 2-methylsulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-methylsulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(methylthio)-3-[2-(4-morpholin-4-iumyl)ethyl]-6-phenyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-methylsulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(methylthio)-3-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-one Formula: C19H22N3O2S2+ MolecularWeight: 388.52688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1CC[NH+]3CCOCC3)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(C(=O)N1CC[NH+]3CCOCC3)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2S2/c1-25-19-20-15-13-16(14-5-3-2-4-6-14)26-17(15)18(23)22(19)8-7-21-9-11-24-12-10-21/h2-6,13H,7-12H2,1H3/p+1