N-[4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]phenyl]methanesulfonamide Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C16H19N3O4S2/c1-3-4-13-9-15(21)18-16(17-13)24-10-14(20)11-5-7-12(8-6-11)19-25(2,22)23/h5-9,19H,3-4,10H2,1-2H3,(H,17,18,21)