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

Systemtic Name: 3-(2-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(2-morpholin-4-ium-4-ylethylthio)-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC[NH+]5CCOCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC[NH+]5CCOCC5

InChI

InChI=1S/C23H24N4O2S/c1-16-6-2-5-9-19(16)27-22(28)21-20(17-7-3-4-8-18(17)24-21)25-23(27)30-15-12-26-10-13-29-14-11-26/h2-9,24H,10-15H2,1H3/p+1