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

Systemtic Name: 2-butylsulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-butylsulfanyl-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(butylthio)-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-butylsulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(butylthio)-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-3-4-13-26-21-23-18-16-7-5-6-8-17(16)22-19(18)20(25)24(21)15-11-9-14(2)10-12-15/h5-12,22H,3-4,13H2,1-2H3