2-[[1-(2-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[1-(2-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[1-methyl-2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[1-(2-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-keto-1-methyl-2-(2-methylpiperidino)ethyl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C(C)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1CCCCN1C(=O)C(C)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H25N3O2S2/c1-14-8-6-7-11-25(14)22(27)15(2)28-13-18-23-20(26)19-17(12-29-21(19)24-18)16-9-4-3-5-10-16/h3-5,9-10,12,14-15H,6-8,11,13H2,1-2H3,(H,23,24,26)