N-butan-2-yl-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-butan-2-yl-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-butan-2-ylacetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-sec-butyl-acetamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2

Isomeric SMILES

CCC(C)NC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2S/c1-3-12(2)18-15(21)9-14-10-16(22)20-17(19-14)23-11-13-7-5-4-6-8-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,18,21)(H,19,20,22)