N-[3-(2-methoxyphenyl)-2,6-bis(oxidanylidene)pyrimidin-4-yl]-2-quinolin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(2-methoxyphenyl)-2,6-bis(oxidanylidene)pyrimidin-4-yl]-2-quinolin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(2-methoxyphenyl)-2,6-dioxo-pyrimidin-4-yl]-2-quinolin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-[3-(2-methoxyphenyl)-2,6-dioxo-4-pyrimidinyl]-2-(2-quinolin-1-iumylthio)acetamide IUPAC Name: N-[3-(2-methoxyphenyl)-2,6-dioxopyrimidin-4-yl]-2-quinolin-1-ium-2-ylsulfanylacetamide Traditional Name: N-[2,6-diketo-3-(2-methoxyphenyl)pyrimidin-4-yl]-2-(quinolin-1-ium-2-ylthio)acetamide Formula: C22H19N4O4S+ MolecularWeight: 435.47566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=CC(=O)NC2=O)NC(=O)CSC3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=CC=C1N2C(=CC(=O)NC2=O)NC(=O)CSC3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H18N4O4S/c1-30-17-9-5-4-8-16(17)26-18(12-19(27)25-22(26)29)24-20(28)13-31-21-11-10-14-6-2-3-7-15(14)23-21/h2-12H,13H2,1H3,(H,24,28)(H,25,27,29)/p+1