5-ethyl-6-methyl-3-(3-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-3-(3-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(m-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-3-(3-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-ethyl-6-methyl-3-(3-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-2-(2-morpholin-4-ium-4-ylethylthio)-3-(m-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC[NH+]3CCOCC3)C4=CC=CC(=C4)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC[NH+]3CCOCC3)C4=CC=CC(=C4)C)C

InChI

InChI=1S/C22H27N3O2S2/c1-4-18-16(3)29-20-19(18)21(26)25(17-7-5-6-15(2)14-17)22(23-20)28-13-10-24-8-11-27-12-9-24/h5-7,14H,4,8-13H2,1-3H3/p+1