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

Systemtic Name: 2-butylsulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-butylsulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(butylthio)-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-butylsulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(butylthio)-3-(3,5-dimethylphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3=CC(=CC(=C3)C)C)NC4=CC=CC=C42

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC(=CC(=C3)C)C)NC4=CC=CC=C42

InChI

InChI=1S/C22H23N3OS/c1-4-5-10-27-22-24-19-17-8-6-7-9-18(17)23-20(19)21(26)25(22)16-12-14(2)11-15(3)13-16/h6-9,11-13,23H,4-5,10H2,1-3H3