3-methyl-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)SC=C2

InChI

InChI=1S/C21H21N5O3S2/c1-24-19(28)14-8-11-30-18(14)23-21(24)31-12-17(27)25-9-6-13(7-10-25)26-16-5-3-2-4-15(16)22-20(26)29/h2-5,8,11,13H,6-7,9-10,12H2,1H3,(H,22,29)