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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-(phenylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-(phenylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzylthio)-3-(3,5-dimethylphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5)C

InChI

InChI=1S/C25H21N3OS/c1-16-12-17(2)14-19(13-16)28-24(29)23-22(20-10-6-7-11-21(20)26-23)27-25(28)30-15-18-8-4-3-5-9-18/h3-14,26H,15H2,1-2H3