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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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