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

Systemtic Name: 2-(2-ethoxyethylsulfanyl)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-(2-ethoxyethylsulfanyl)-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(2-ethoxyethylthio)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-ethoxyethylsulfanyl)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(2-ethoxyethylthio)-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

Isomeric SMILES

CCOCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

InChI

InChI=1S/C21H21N3O2S/c1-3-26-12-13-27-21-23-18-15-9-5-6-10-16(15)22-19(18)20(25)24(21)17-11-7-4-8-14(17)2/h4-11,22H,3,12-13H2,1-2H3