5,6-dimethyl-3-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-phenyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-3-phenyl-2-(2-piperidin-1-ium-1-ylethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC[NH+]3CCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC[NH+]3CCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N3OS2/c1-15-16(2)27-19-18(15)20(25)24(17-9-5-3-6-10-17)21(22-19)26-14-13-23-11-7-4-8-12-23/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3/p+1