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

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H14N4O4S/c1-8-9(2)15-14(17-13(8)20)23-7-12(19)16-10-4-3-5-11(6-10)18(21)22/h3-6H,7H2,1-2H3,(H,16,19)(H,15,17,20)