2-[[(5R)-4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[(5R)-4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[(5R)-4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[(5R)-4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[(5R)-4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[(5R)-4,6-diketo-5-phenyl-1H-pyrimidin-2-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)NC(=NC2=O)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2C(=O)NC(=NC2=O)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c23-14(19-12-8-4-5-9-13(12)22(26)27)10-28-18-20-16(24)15(17(25)21-18)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,19,23)(H,20,21,24,25)