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

Systemtic Name: 3-(2,3-dimethylphenyl)-2-(pyridin-2-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2,3-dimethylphenyl)-2-(2-pyridylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2,3-dimethylphenyl)-2-(2-pyridinylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2,3-dimethylphenyl)-2-(pyridin-2-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2,3-dimethylphenyl)-2-(2-pyridylmethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C24H20N4OS MolecularWeight: 412.5068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=N5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=N5)C

InChI

InChI=1S/C24H20N4OS/c1-15-8-7-12-20(16(15)2)28-23(29)22-21(18-10-3-4-11-19(18)26-22)27-24(28)30-14-17-9-5-6-13-25-17/h3-13,26H,14H2,1-2H3