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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(4-piperidinosulfonylbenzyl)pyrimidine-4-carboxamide Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C18H21ClN4O3S2/c1-27-18-21-12-15(19)16(22-18)17(24)20-11-13-5-7-14(8-6-13)28(25,26)23-9-3-2-4-10-23/h5-8,12H,2-4,9-11H2,1H3,(H,20,24)