4-methyl-1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-e][1,2,4]thiadiazin-3-one

Systemtic Name: 4-methyl-1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-e][1,2,4]thiadiazin-3-one Openeye Name: 4-methyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-e][1,2,4]thiadiazin-3-one CAS Name: 4-methyl-1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3-thieno[2,3-e][1,2,4]thiadiazinone IUPAC Name: 4-methyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]thieno[2,3-e][1,2,4]thiadiazin-3-one Traditional Name: 1,1-diketo-4-methyl-2-[4-[4-(2-pyrimidyl)piperazino]butyl]thieno[2,3-e][1,2,4]thiadiazin-3-one Formula: C18H24N6O3S2 MolecularWeight: 436.55156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CS2)S(=O)(=O)N(C1=O)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C2=C(C=CS2)S(=O)(=O)N(C1=O)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H24N6O3S2/c1-21-16-15(5-14-28-16)29(26,27)24(18(21)25)9-3-2-8-22-10-12-23(13-11-22)17-19-6-4-7-20-17/h4-7,14H,2-3,8-13H2,1H3