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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(3,5-dimethylphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H20BrN3OS MolecularWeight: 490.4148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20BrN3OS/c1-15-11-16(2)13-19(12-15)29-24(30)23-22(20-5-3-4-6-21(20)27-23)28-25(29)31-14-17-7-9-18(26)10-8-17/h3-13,27H,14H2,1-2H3