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

Systemtic Name: 3-(2,3-dimethylphenyl)-2-(2-hydroxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2,3-dimethylphenyl)-2-(2-hydroxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2,3-dimethylphenyl)-2-(2-hydroxyethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2,3-dimethylphenyl)-2-(2-hydroxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2,3-dimethylphenyl)-2-(2-hydroxyethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C20H19N3O2S MolecularWeight: 365.44876

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=C2SCCO)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCCO)C

InChI

InChI=1S/C20H19N3O2S/c1-12-6-5-9-16(13(12)2)23-19(25)18-17(22-20(23)26-11-10-24)14-7-3-4-8-15(14)21-18/h3-9,21,24H,10-11H2,1-2H3