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

Systemtic Name: 5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-3-propan-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isopropyl-5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-propan-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isopropyl-5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C18H28N3OS2+ MolecularWeight: 366.56442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3OS2/c1-12(2)21-17(22)15-13(3)14(4)24-16(15)19-18(21)23-11-10-20-8-6-5-7-9-20/h12H,5-11H2,1-4H3/p+1