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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2

InChI

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