2-(2-diethylaminoethylsulfanyl)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-(2-diethylaminoethylsulfanyl)-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(2-diethylaminoethylthio)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(2-diethylaminoethylthio)-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

Isomeric SMILES

CCN(CC)CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)NC4=CC=CC=C42

InChI

InChI=1S/C23H26N4OS/c1-4-26(5-2)14-15-29-23-25-20-17-11-7-8-12-18(17)24-21(20)22(28)27(23)19-13-9-6-10-16(19)3/h6-13,24H,4-5,14-15H2,1-3H3