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

Systemtic Name: N-[3-(2-methoxyethyl)-2,6-bis(oxidanylidene)pyrimidin-4-yl]-2-quinolin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(2-methoxyethyl)-2,6-dioxo-pyrimidin-4-yl]-2-quinolin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-[3-(2-methoxyethyl)-2,6-dioxo-4-pyrimidinyl]-2-(2-quinolin-1-iumylthio)acetamide IUPAC Name: N-[3-(2-methoxyethyl)-2,6-dioxopyrimidin-4-yl]-2-quinolin-1-ium-2-ylsulfanylacetamide Traditional Name: N-[2,6-diketo-3-(2-methoxyethyl)pyrimidin-4-yl]-2-(quinolin-1-ium-2-ylthio)acetamide Formula: C18H19N4O4S+ MolecularWeight: 387.43286

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CC(=O)NC1=O)NC(=O)CSC2=[NH+]C3=CC=CC=C3C=C2

Isomeric SMILES

COCCN1C(=CC(=O)NC1=O)NC(=O)CSC2=[NH+]C3=CC=CC=C3C=C2

InChI

InChI=1S/C18H18N4O4S/c1-26-9-8-22-14(10-15(23)21-18(22)25)20-16(24)11-27-17-7-6-12-4-2-3-5-13(12)19-17/h2-7,10H,8-9,11H2,1H3,(H,20,24)(H,21,23,25)/p+1