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

Systemtic Name: 5,6-dimethyl-3-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-(4-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-(2-morpholin-4-ium-4-ylethylthio)-3-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC[NH+]4CCOCC4)SC(=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC[NH+]4CCOCC4)SC(=C3C)C

InChI

InChI=1S/C21H25N3O2S2/c1-14-4-6-17(7-5-14)24-20(25)18-15(2)16(3)28-19(18)22-21(24)27-13-10-23-8-11-26-12-9-23/h4-7H,8-13H2,1-3H3/p+1