2-methylsulfanyl-5-pyridin-1-ium-3-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 2-methylsulfanyl-5-pyridin-1-ium-3-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-methylsulfanyl-5-pyridin-1-ium-3-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 2-(methylthio)-5-(3-pyridin-1-iumyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 2-methylsulfanyl-5-pyridin-1-ium-3-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(methylthio)-5-pyridin-1-ium-3-yl-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C17H17N4O2S+ MolecularWeight: 341.40748

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=C[NH+]=CC=C4)C(=O)CCC3

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)NC3=C(C2C4=C[NH+]=CC=C4)C(=O)CCC3

InChI

InChI=1S/C17H16N4O2S/c1-24-17-20-15-14(16(23)21-17)12(9-4-3-7-18-8-9)13-10(19-15)5-2-6-11(13)22/h3-4,7-8,12H,2,5-6H2,1H3,(H2,19,20,21,23)/p+1