4-(6-chloranyl-2-thiomorpholin-4-yl-pyrimidin-4-yl)piperazine-1-carbaldehyde

Systemtic Name: 4-(6-chloranyl-2-thiomorpholin-4-yl-pyrimidin-4-yl)piperazine-1-carbaldehyde Openeye Name: 4-(6-chloro-2-thiomorpholino-pyrimidin-4-yl)piperazine-1-carbaldehyde CAS Name: 4-(6-chloro-2-thiomorpholin-4-yl-4-pyrimidinyl)-1-piperazinecarboxaldehyde IUPAC Name: 4-(6-chloro-2-thiomorpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde Traditional Name: 4-(6-chloro-2-thiomorpholino-pyrimidin-4-yl)piperazine-1-carbaldehyde Formula: C13H18ClN5OS MolecularWeight: 327.83292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=CC(=NC(=N2)N3CCSCC3)Cl

Isomeric SMILES

C1CN(CCN1C=O)C2=CC(=NC(=N2)N3CCSCC3)Cl

InChI

InChI=1S/C13H18ClN5OS/c14-11-9-12(18-3-1-17(10-20)2-4-18)16-13(15-11)19-5-7-21-8-6-19/h9-10H,1-8H2