2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-N-pentyl-ethanamide Openeye Name: 2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-N-pentyl-acetamide CAS Name: 2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-N-pentylacetamide IUPAC Name: 2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CC1=C(NC(=NC1=O)SC(C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCNC(=O)CC1=C(NC(=NC1=O)SC(C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H27N3O2S/c1-4-5-9-12-21-18(24)13-17-14(2)22-20(23-19(17)25)26-15(3)16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-13H2,1-3H3,(H,21,24)(H,22,23,25)