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

Systemtic Name: 2-[[4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-yl]sulfanyl]-N-pyridin-1-ium-2-yl-ethanamide Openeye Name: 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-1-ium-2-yl-acetamide CAS Name: 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[(4,6-dioxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-1-ium-2-ylacetamide Traditional Name: 2-[(4,6-diketo-5-phenyl-1H-pyrimidin-2-yl)thio]-N-pyridin-1-ium-2-yl-acetamide Formula: C17H15N4O3S+ MolecularWeight: 355.391

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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=[NH+]3

Isomeric SMILES

C1=CC=C(C=C1)C2C(=O)NC(=NC2=O)SCC(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C17H14N4O3S/c22-13(19-12-8-4-5-9-18-12)10-25-17-20-15(23)14(16(24)21-17)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19,22)(H,20,21,23,24)/p+1