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

Systemtic Name: 3-(2-methoxyethyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-methoxyethyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2-methoxyethyl)-2-(2-morpholin-4-ium-4-ylethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCOCC4

Isomeric SMILES

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC[NH+]4CCOCC4

InChI

InChI=1S/C19H24N4O3S/c1-25-10-8-23-18(24)17-16(14-4-2-3-5-15(14)20-17)21-19(23)27-13-9-22-6-11-26-12-7-22/h2-5,20H,6-13H2,1H3/p+1