3-methyl-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=N4)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=N4)SC=C2

InChI

InChI=1S/C18H19N5O2S2/c1-21-17(25)13-5-11-26-16(13)20-18(21)27-12-15(24)23-9-7-22(8-10-23)14-4-2-3-6-19-14/h2-6,11H,7-10,12H2,1H3