4-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-chloro-6-(4-methyl-1-piperazin-4-iumyl)-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C11H16ClN4OS+ MolecularWeight: 287.78894

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)SC)Cl)C=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)SC)Cl)C=O

InChI

InChI=1S/C11H15ClN4OS/c1-15-3-5-16(6-4-15)10-8(7-17)9(12)13-11(14-10)18-2/h7H,3-6H2,1-2H3/p+1