2-[2-[2-(oxidanylidenemethylidene)-1H-pyrimidin-5-yl]-3-piperazin-1-yl-pyridin-4-yl]-1-thiomorpholin-4-yl-ethanone

Systemtic Name: 2-[2-[2-(oxidanylidenemethylidene)-1H-pyrimidin-5-yl]-3-piperazin-1-yl-pyridin-4-yl]-1-thiomorpholin-4-yl-ethanone Openeye Name: 2-[2-[2-(oxomethylene)-1H-pyrimidin-5-yl]-3-piperazin-1-yl-4-pyridyl]-1-thiomorpholino-ethanone CAS Name: 2-[2-[2-(oxomethylidene)-1H-pyrimidin-5-yl]-3-(1-piperazinyl)-4-pyridinyl]-1-thiomorpholin-4-ylethanone IUPAC Name: 2-[2-[2-(oxomethylidene)-1H-pyrimidin-5-yl]-3-piperazin-1-ylpyridin-4-yl]-1-thiomorpholin-4-ylethanone Traditional Name: 2-[2-[2-(ketomethylene)-1H-pyrimidin-5-yl]-3-piperazino-4-pyridyl]-1-thiomorpholino-ethanone Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=CN=C2C3=CNC(=C=O)N=C3)CC(=O)N4CCSCC4

Isomeric SMILES

C1CN(CCN1)C2=C(C=CN=C2C3=CNC(=C=O)N=C3)CC(=O)N4CCSCC4

InChI

InChI=1S/C20H24N6O2S/c27-14-17-23-12-16(13-24-17)19-20(26-5-3-21-4-6-26)15(1-2-22-19)11-18(28)25-7-9-29-10-8-25/h1-2,12-13,21,23H,3-11H2