2-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(2-hydroxyethyl)-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(2-hydroxyethyl)-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(2-hydroxyethyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CCO

InChI

InChI=1S/C15H16N4O5S/c1-9-12(5-6-20)14(22)18-15(16-9)25-8-13(21)17-10-3-2-4-11(7-10)19(23)24/h2-4,7,20H,5-6,8H2,1H3,(H,17,21)(H,16,18,22)