2-butylsulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-butylsulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-butylsulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(butylthio)-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-butylsulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(butylthio)-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS/c1-2-3-13-25-20-22-17-15-11-7-8-12-16(15)21-18(17)19(24)23(20)14-9-5-4-6-10-14/h4-12,21H,2-3,13H2,1H3