5-chloranyl-2-methylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(4-piperidinosulfonylphenyl)pyrimidine-4-carboxamide Formula: C17H19ClN4O3S2 MolecularWeight: 426.94076

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C17H19ClN4O3S2/c1-26-17-19-11-14(18)15(21-17)16(23)20-12-5-7-13(8-6-12)27(24,25)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,20,23)