3-ethyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-ethyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-ethyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-ethyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-ethyl-2-(2-morpholin-4-ium-4-ylethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCOCC4

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCOCC4

InChI

InChI=1S/C18H22N4O2S/c1-2-22-17(23)16-15(13-5-3-4-6-14(13)19-16)20-18(22)25-12-9-21-7-10-24-11-8-21/h3-6,19H,2,7-12H2,1H3/p+1