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

Systemtic Name: 3-(2,5-dimethylphenyl)-2-(2-ethoxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2,5-dimethylphenyl)-2-(2-ethoxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2,5-dimethylphenyl)-2-(2-ethoxyethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2,5-dimethylphenyl)-2-(2-ethoxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2,5-dimethylphenyl)-2-(2-ethoxyethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)C)NC4=CC=CC=C42

Isomeric SMILES

CCOCCSC1=NC2=C(C(=O)N1C3=C(C=CC(=C3)C)C)NC4=CC=CC=C42

InChI

InChI=1S/C22H23N3O2S/c1-4-27-11-12-28-22-24-19-16-7-5-6-8-17(16)23-20(19)21(26)25(22)18-13-14(2)9-10-15(18)3/h5-10,13,23H,4,11-12H2,1-3H3