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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-(propylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,5-dimethylphenyl)-2-propylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-(propylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1C3=CC(=CC(=C3)C)C)NC4=CC=CC=C42

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1C3=CC(=CC(=C3)C)C)NC4=CC=CC=C42

InChI

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